data_5b7j_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 5b7j _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.513 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.603 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.603 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.721 0.296 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 63' ' ' ILE . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.539 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 66' ' ' ILE . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.431 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.607 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.539 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.607 HE22 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.512 ' CG ' HE21 ' A' ' 94' ' ' GLN . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 92' ' ' TYR . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.765 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.512 HE21 ' CG ' ' A' ' 90' ' ' ARG . 48.2 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.5 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.758 0.313 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.553 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.579 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.742 0.306 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' SER . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.708 ' HG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.036 0.446 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 63' ' ' ILE . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 66' ' ' ILE . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.782 0.325 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.708 ' NH2' ' HG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.598 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 89' ' ' MET . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.592 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 79.0 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.586 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.731 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.48 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.416 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 34' ' ' LEU . 96.8 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.707 0.289 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' H ' ' HG ' ' A' ' 33' ' ' SER . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.435 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 63' ' ' ILE . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.544 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.525 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.544 HE22 ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HG2' HE21 ' A' ' 94' ' ' GLN . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.621 ' N ' HG22 ' A' ' 91' ' ' VAL . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 47.6 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.714 0.292 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.444 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 36' ' ' GLU . 89.6 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' NZ ' HD23 ' A' ' 112' ' ' LEU . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.855 0.36 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.542 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 66' ' ' ILE . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.517 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HB2' ' NE2' ' A' ' 84' ' ' GLN . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.542 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.517 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.615 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 46.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' NZ ' ' A' ' 37' ' ' LYS . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.616 0.246 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' CA ' ' HZ2' ' A' ' 37' ' ' LYS . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ2' ' CA ' ' A' ' 34' ' ' LEU . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.916 0.389 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.518 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 57' ' ' SER . 67.1 tt0 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.518 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.495 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' A' ' 94' ' ' GLN . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.411 ' N ' HG23 ' A' ' 91' ' ' VAL . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.9 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 65.5 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.762 0.315 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.57 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.472 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.472 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 1.5 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.391 0.139 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 37' ' ' LYS . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.595 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 38' ' ' ILE . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.57 0.224 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.533 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.777 0.322 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.407 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.417 HH11 HD22 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 HH11 ' A' ' 122' ' ' ARG . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.623 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.623 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' A' ' 42' ' ' ARG . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.31 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.664 0.268 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.644 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.644 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.713 HG21 ' N ' ' A' ' 92' ' ' TYR . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.713 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.8 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' H ' ' HG1' ' A' ' 106' ' ' THR . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.498 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.421 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.542 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.419 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.704 0.288 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 66' ' ' ILE . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.524 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.602 0.239 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.549 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.528 HE22 ' CB ' ' A' ' 80' ' ' ALA . 2.1 mp0 -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.482 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' N ' HG23 ' A' ' 91' ' ' VAL . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.4 m80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.449 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.502 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.34 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.408 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.811 0.338 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HD11 HG23 ' A' ' 66' ' ' ILE . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.556 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.703 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.703 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.448 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.7 t . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.861 0.362 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.781 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.781 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.473 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' NH2' ' CG2' ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.554 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.526 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.554 HE22 ' CB ' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.3 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.752 0.311 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HG ' HH12 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.45 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.684 0.278 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' SER . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.512 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.725 0.298 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.541 ' O ' HG21 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 92' ' ' TYR . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.699 ' N ' HG21 ' A' ' 91' ' ' VAL . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.585 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.731 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.478 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.56 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.535 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 78' ' ' GLU . 57.9 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.535 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.672 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.672 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.759 ' NH2' HE22 ' A' ' 94' ' ' GLN . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.617 ' N ' HG22 ' A' ' 91' ' ' VAL . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.759 HE22 ' NH2' ' A' ' 90' ' ' ARG . 46.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.594 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.8 m80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.406 HD12 ' NH1' ' A' ' 122' ' ' ARG . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.526 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.539 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.511 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.767 0.317 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.545 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.572 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.61 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 76.1 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.658 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.49 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.646 0.26 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 66' ' ' ILE . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.704 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.704 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 92' ' ' TYR . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.485 ' N ' HG22 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.7 m80 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.619 0.247 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.715 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.715 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 67.1 m80 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.531 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.511 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.698 ' O ' HG21 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.403 ' HG2' HE21 ' A' ' 94' ' ' GLN . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.522 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 34.9 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 63.1 m80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.441 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HZ2' HG12 ' A' ' 88' ' ' ILE . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 38' ' ' ILE . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.561 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.53 0.205 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 63' ' ' ILE . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.518 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.665 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.665 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.58 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.7 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.561 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.719 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.535 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.488 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.767 0.317 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HZ1' HG12 ' A' ' 88' ' ' ILE . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.465 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.461 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 38.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 66' ' ' ILE . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.6 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.9 0.381 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.517 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 HD11 HG23 ' A' ' 85' ' ' ILE . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.408 HG12 ' HZ1' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.721 ' NH2' HE22 ' A' ' 94' ' ' GLN . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.721 HE22 ' NH2' ' A' ' 90' ' ' ARG . 72.8 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.645 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.492 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.801 ' N ' ' HZ3' ' A' ' 37' ' ' LYS . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.801 ' HZ3' ' N ' ' A' ' 34' ' ' LEU . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.601 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.427 HG22 HD13 ' A' ' 66' ' ' ILE . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.704 ' O ' HG21 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.746 HG21 ' N ' ' A' ' 92' ' ' TYR . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.746 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.581 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.581 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 75.7 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' C ' ' A' ' 33' ' ' SER . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 38' ' ' ILE . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.425 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.66 0.267 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 66' ' ' ILE . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.837 0.351 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.729 ' O ' HG21 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.729 HG21 ' O ' ' A' ' 88' ' ' ILE . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.532 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.6 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 21.3 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.834 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 106' ' ' THR . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.431 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.415 HH11 HD22 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.522 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.522 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.584 ' O ' HG21 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.72 HH21 HE22 ' A' ' 94' ' ' GLN . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.52 ' N ' HG21 ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.72 HE22 HH21 ' A' ' 90' ' ' ARG . 73.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 74.5 m80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.577 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.768 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.491 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.485 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 13.0 mptt -36.99 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 86.4 -176.2 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.248 0.343 . . . . 0.0 111.134 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.534 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 75.5 mt-30 -75.46 -40.73 57.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -150.72 115.85 5.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -154.67 158.37 39.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.628 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 86.3 t60 -85.16 -59.94 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.8 tp -124.84 129.67 50.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.513 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p -95.61 -57.59 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.363 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.603 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' HB2' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.603 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.32 132.57 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -173.26 134.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG11 ' H ' ' A' ' 55' ' ' LYS . 55.5 t -123.62 132.67 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.8 t0 -74.67 -34.57 62.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.82 -44.37 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' H ' HG11 ' A' ' 52' ' ' VAL . 48.9 mtpt -141.35 111.85 6.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.639 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.57 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t -58.79 -28.55 66.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 63' ' ' ILE . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.539 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 66' ' ' ILE . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.08 44.54 88.39 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.8 tt -62.08 -46.5 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 153.32 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.475 0.484 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.597 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 97.3 mt -136.4 129.78 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.597 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -140.86 159.13 42.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.577 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 1.3 p -131.83 150.91 52.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.381 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.8 mt-10 -34.64 -61.41 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.045 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.431 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.607 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 77' ' ' THR . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.612 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.607 HE22 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.512 ' CG ' HE21 ' A' ' 94' ' ' GLN . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 92' ' ' TYR . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.765 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.512 HE21 ' CG ' ' A' ' 90' ' ' ARG . 48.2 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 100' ' ' GLN . 17.5 m80 -56.05 -60.21 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.6 mtp180 34.74 28.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 98' ' ' HIS . 16.0 mt-30 -91.82 154.86 43.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.22 157.1 62.72 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.843 2.362 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.54 4.02 17.99 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.9 mtm -122.56 148.05 45.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -105.24 147.26 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p -71.17 138.58 49.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.553 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' A' ' 134' ' ' LEU . 48.0 mt-10 -62.75 -34.63 77.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.42 -43.45 97.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.42 -44.95 93.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.0 mt -111.12 124.13 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.56 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.659 0 C4'-C3'-C2' 104.839 1.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.741 0 C4'-C3'-C2' 105.144 1.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.468 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.664 2.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.629 ' OP2' ' CG2' ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.404 -3.83 1 O4'-C1'-N19 104.353 -4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.442 " C2'" ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.551 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.498 1.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.612 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.233 0 O4'-C4'-C3' 107.41 1.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.437 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.897 0 O4'-C4'-C3' 107.312 1.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.218 1.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 108.077 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.435 0 C4'-C3'-C2' 105.448 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.659 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 C4'-C3'-C2' 104.87 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.659 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.799 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.84 0 C4'-C3'-C2' 105.019 1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.853 0 C4'-C3'-C2' 105.213 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.534 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.01 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.419 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 P--O5' 1.613 1.953 0 C4'-C3'-C2' 105.224 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.834 2.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.695 ' O ' ' O ' ' A' ' 26' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.695 ' O ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -44.94 -168.08 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 123.852 0.72 . . . . 0.0 109.49 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 141.55 -128.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.996 0.81 . . . . 0.0 110.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 42.2 mt-30 -120.31 4.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 72.0 ttt-85 166.48 100.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.855 0.722 . . . . 0.0 110.576 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 5.0 t -155.84 171.66 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.462 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.5 m-70 -126.79 142.31 51.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 31' ' ' HIS . 41.4 tp 45.13 100.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.579 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p -89.42 -50.77 5.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.618 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -150.52 177.55 9.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD13 ' H ' ' A' ' 52' ' ' VAL . 55.7 tp -118.71 138.22 52.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 38.6 t -120.91 130.27 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 52' ' ' VAL . 77.9 m-20 -152.57 -35.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 58' ' ' GLU . 95.9 mtm-85 -62.34 -45.75 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.02 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 99.0 mttt -146.59 158.81 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.706 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.7 m -62.98 -45.58 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.708 ' HG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m -91.8 13.08 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 54' ' ' ARG . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 63' ' ' ILE . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 66' ' ' ILE . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.42 49.71 67.22 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.2 tt -68.3 -45.95 71.63 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.747 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 154.27 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.325 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.0 mt -136.91 116.27 15.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.405 ' CD2' HD22 ' A' ' 73' ' ' LEU . 1.7 m170 -121.85 157.78 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 p -132.63 162.49 31.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.85 -60.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.708 ' NH2' ' HG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.598 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG22 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.42 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.507 ' CG2' ' OP2' ' B' ' 205' ' ' ' DA' . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.592 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 79.0 m80 -79.03 125.5 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -145.83 106.29 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.509 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -147.7 148.78 31.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.76 161.51 45.82 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.837 2.358 . . . . 0.0 112.112 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.17 -4.0 40.98 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.0 mtm -108.19 132.51 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.71 145.73 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p -79.24 163.09 25.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.586 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.731 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.48 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.501 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.3 mt-10 -52.9 -25.25 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.75 -43.73 95.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.557 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.83 -45.63 91.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 131' ' ' GLU . 87.4 mt -113.6 125.54 54.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 C4'-C3'-C2' 105.267 2.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.504 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.507 ' OP2' ' CG2' ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.477 " C2'" ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.947 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.477 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.571 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.056 0 C4'-C3'-C2' 105.128 1.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.636 2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.481 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.836 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.087 0 O4'-C1'-C2' 108.215 1.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C4'-C3' 107.718 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.452 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.663 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.818 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-C2' 108.144 1.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.818 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.408 1 O4'-C1'-N19 111.376 4.47 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.42 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.038 0 C4'-C3'-C2' 104.843 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.669 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.504 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.615 2.218 0 O4'-C4'-C3' 107.874 2.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.472 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.524 1.658 0 C4'-C3'-C2' 104.945 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.534 ' O ' ' O ' ' A' ' 26' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.648 ' NZ ' ' O2 ' ' C' ' 222' ' ' ' DT' . 2.2 tpmt? -40.09 -97.94 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 89.81 172.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 123.779 0.674 . . . . 0.0 111.517 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 79.5 mt-30 -67.26 -42.09 84.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.297 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -145.57 132.36 20.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -172.78 165.78 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 80.0 m80 -94.61 -60.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.324 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.5 tp -123.7 130.95 53.43 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 34' ' ' LEU . 96.8 p -97.79 -54.1 3.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' H ' ' HG ' ' A' ' 33' ' ' SER . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -44.81 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 tp -112.32 129.98 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.24 126.54 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -76.24 -42.02 47.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.622 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -50.97 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -140.74 151.24 44.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.8 p -74.84 -11.94 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t -61.77 -49.03 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 63' ' ' ILE . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.62 22.34 78.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.47 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.27 155.19 1.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.9 tt -136.4 128.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.439 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.15 -80.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -129.97 153.66 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 -179.368 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 -66.27 -36.52 83.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.544 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.525 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.595 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.544 HE22 ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.424 HH22 ' H73' ' C' ' 218' ' ' ' DT' . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.621 ' N ' HG22 ' A' ' 91' ' ' VAL . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 47.6 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 -72.23 141.97 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -125.83 142.55 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -155.02 92.44 2.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.72 148.7 32.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.751 2.301 . . . . 0.0 112.589 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.37 78.92 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 64.3 ttp -99.36 135.15 41.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.21 132.42 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p -85.59 168.8 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.444 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 133' ' ' PHE . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.45 -41.7 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.73 -41.93 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 130' ' ' ARG . 69.0 m-85 -97.64 142.43 29.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.79 131.39 55.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 134' ' ' LEU . 35.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.141 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.563 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 C4'-C3'-C2' 105.09 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.453 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.588 ' OP2' ' CG1' ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 105.392 -3.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.443 " H4'" ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.532 2.584 0 C4'-C3'-C2' 105.498 2.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.414 ' C2 ' ' C2 ' ' C' ' 219' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.962 0 C4'-C3'-C2' 105.177 1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.595 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.787 0 C4'-C3'-C2' 105.003 1.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.704 0 C4'-C3'-C2' 105.21 2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.881 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C1'-C2' 108.363 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.466 0 C4'-C3'-C2' 105.443 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.626 ' C2 ' ' C2 ' ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.703 0 O4'-C4'-C3' 107.401 1.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.626 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.424 ' H73' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 C4'-C3'-C2' 105.194 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.315 1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 C4'-C3'-C2' 105.373 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . 0.421 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.61 1.698 0 C4'-C3'-C2' 105.45 2.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.648 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.447 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.563 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.428 1.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 0.0 OUTLIER -60.02 -143.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.338 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 147.7 -164.61 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.84 0.713 . . . . 0.0 110.666 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -88.81 -13.55 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -174.58 96.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -142.64 167.02 23.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 2.3 p-80 -103.58 -48.63 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mp -120.88 129.43 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' ALA . 89.6 p -110.29 -60.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' OE1' ' O ' ' A' ' 25' ' ' ALA . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.697 ' HZ3' ' P ' ' B' ' 205' ' ' ' DA' . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -55.84 133.58 51.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -169.47 131.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.548 ' CG1' ' OE1' ' A' ' 58' ' ' GLU . 54.4 t -123.25 131.77 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.7 t0 -75.86 -34.64 60.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -52.91 -43.6 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.674 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' H ' HG13 ' A' ' 52' ' ' VAL . 38.5 mtpt -141.95 114.34 8.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.709 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.85 -45.11 94.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p -61.27 -25.86 67.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' OE1' ' CG1' ' A' ' 52' ' ' VAL . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' O ' ' NE2' ' A' ' 76' ' ' HIS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 66' ' ' ILE . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.65 20.5 78.58 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 74' ' ' ALA . 53.5 tp -62.4 145.71 53.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.395 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -38.22 163.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.44 129.19 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.601 ' NE2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -126.77 -177.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.58 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.6 OUTLIER -148.65 155.18 40.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.648 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.517 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 -30.12 -62.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' O ' ' A' ' 77' ' ' THR . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.517 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.608 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.615 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.415 HH22 ' H73' ' C' ' 218' ' ' ' DT' . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.53 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 46.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.7 m80 -84.86 114.54 22.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -144.59 129.32 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 177.06 157.11 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -56.39 147.81 65.74 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.755 2.303 . . . . 0.0 112.46 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.82 -6.11 18.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 78.3 mtm -112.51 131.97 55.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.82 140.93 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p -81.41 162.82 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' NZ ' ' A' ' 37' ' ' LYS . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.86 -35.85 82.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.54 -44.44 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -65.15 -41.86 94.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.622 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 96.6 mt -75.76 145.9 40.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 O4'-C4'-C3' 107.609 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.603 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 C1'-O4'-C4' 107.316 -1.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.639 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.678 2.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.697 ' P ' ' HZ3' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.523 1.52 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.608 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.388 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.41 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-C2' 108.235 1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.595 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.526 1.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.595 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.085 1 O4'-C1'-N19 111.375 4.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.415 ' H73' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.733 0 C4'-C3'-C2' 105.148 1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.467 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.961 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.603 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.613 ' N ' ' CD1' ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 40.4 tttp -131.54 130.32 42.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.641 ' C ' ' H ' ' A' ' 29' ' ' ARG . . . 79.15 162.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 9.7 mm100 65.97 -28.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.641 ' H ' ' C ' ' A' ' 27' ' ' ALA . 2.2 mmm180 160.76 100.05 0.0 OUTLIER 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 123.445 0.466 . . . . 0.0 110.555 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 5.4 t -145.78 163.79 33.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.713 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -140.68 -56.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.55 86.9 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.206 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -55.96 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.548 -179.254 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' CA ' ' HZ2' ' A' ' 37' ' ' LYS . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ2' ' CA ' ' A' ' 34' ' ' LEU . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -57.06 125.12 21.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.7 tp -161.08 128.84 4.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 55' ' ' LYS . 54.6 t -122.58 129.96 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.478 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.3 t0 -75.14 -35.47 61.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -52.0 -43.39 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.631 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' H ' HG13 ' A' ' 52' ' ' VAL . 42.0 mtpt -143.29 111.18 6.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.601 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.17 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p -60.58 -29.09 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' OE1' ' CG1' ' A' ' 52' ' ' VAL . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.518 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.81 -24.72 11.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 55.1 tp -45.28 138.36 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -33.77 158.95 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.478 0.486 . . . . 0.0 110.811 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.511 ' O ' ' O ' ' A' ' 76' ' ' HIS . 21.0 tt -89.93 -6.89 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.673 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 32.44 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.348 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.525 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.8 p -137.58 155.48 49.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.412 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 77' ' ' THR . 67.1 tt0 -32.86 -56.11 0.37 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.518 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.495 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.61 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 81.7 m-20 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.445 HE21 " H3'" ' B' ' 206' ' ' ' DC' . 79.1 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' A' ' 94' ' ' GLN . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' N ' HG23 ' A' ' 91' ' ' VAL . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.9 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 65.5 m80 -69.7 124.6 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -142.17 147.33 36.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -179.91 152.27 0.61 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.96 154.84 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.762 2.308 . . . . 0.0 112.146 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.06 27.47 64.24 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 ttm -84.49 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -77.87 156.64 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p -129.3 158.13 39.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.57 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.472 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.472 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.507 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.7 -39.64 91.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.81 -43.12 97.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.721 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.7 m-85 -128.94 137.68 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.556 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.7 mt -105.62 130.77 53.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' LEU . 15.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.61 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.816 0 C4'-C3'-C2' 104.989 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.092 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.515 ' OP2' HG22 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.426 -1.858 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.445 " H3'" HE21 ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.401 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.61 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.43 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.753 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.019 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.776 2.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.423 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.445 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.731 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.731 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.39 1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 O4'-C4'-C3' 107.35 1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 C4'-C3'-C2' 105.055 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.725 0 C4'-C3'-C2' 105.305 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.246 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.61 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 43.3 tttm -49.83 85.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . 162.06 -92.5 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.8 mm-40 -37.86 -58.35 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -154.46 103.39 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 27' ' ' ALA . 6.6 t -143.45 151.43 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -121.59 -33.26 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.094 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 48.1 tp -149.16 95.96 2.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 1.5 p -56.32 -63.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 37' ' ' LYS . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 38' ' ' ILE . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 51' ' ' LEU . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.4 90.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 49' ' ' HIS . 41.6 tp -114.93 123.82 50.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 54' ' ' ARG . 55.0 t -126.7 135.38 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 64.4 t0 -91.65 -16.98 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.675 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 52' ' ' VAL . 92.1 mtm-85 -59.71 -44.53 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.45 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -161.09 130.71 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.53 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 m -63.35 -43.56 97.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m -57.31 -34.13 68.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.33 45.13 89.32 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.1 tt -62.99 -47.61 82.37 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 152.91 -107.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 O-C-N 123.578 0.549 . . . . 0.0 110.424 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.517 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 44.8 mm -128.96 133.35 66.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.957 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 1.4 m-70 -142.9 160.96 39.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.616 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 3.6 p -137.5 150.9 47.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 77' ' ' THR . 36.4 tt0 -32.89 -62.79 0.24 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' A' ' 77' ' ' THR . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.575 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.533 ' NE2' ' OP2' ' B' ' 207' ' ' ' DA' . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 -58.76 121.6 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 84.7 mtp180 -136.44 151.57 49.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.434 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 1.8 mt-30 160.71 158.11 0.04 OUTLIER Pre-proline 0 C--O 1.227 -0.099 0 O-C-N 123.556 0.535 . . . . 0.0 110.772 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.67 153.24 59.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.738 2.292 . . . . 0.0 112.176 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.54 66.52 2.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.7 mtm -115.43 133.72 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -81.79 147.02 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p -125.51 155.1 41.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.515 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.407 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.417 HH11 HD22 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 HH11 ' A' ' 122' ' ' ARG . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.43 -42.68 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -41.68 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.468 ' O ' ' O ' ' A' ' 130' ' ' ARG . 74.3 m-85 -101.66 120.47 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.8 mt -110.44 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.654 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 C4'-C3'-C2' 105.339 2.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.574 1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.437 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O4'-C4'-C3' 107.682 2.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.437 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.424 -1.98 0 O4'-C4'-C3' 108.14 2.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.533 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.575 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.059 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.426 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.737 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.86 0 O4'-C4'-C3' 107.581 1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.925 0 O4'-C4'-C3' 107.807 2.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C4'-C3' 107.922 2.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.404 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.646 0 C4'-C3'-C2' 105.255 2.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.719 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C1'-C2' 107.905 1.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.719 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 1 O4'-C1'-N19 111.846 5.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.5 0 C4'-C3'-C2' 105.046 1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 0 O4'-C4'-C3' 107.42 1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 C4'-C3'-C2' 105.166 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 C4'-C3'-C2' 105.394 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 C4'-C3'-C2' 105.138 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.654 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.395 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' HB2' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.901 0.382 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 1.5 mptt -56.47 -163.58 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 150.7 -166.17 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 28' ' ' GLN . 1.9 mp0 -68.79 -42.94 76.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.397 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -156.48 101.47 2.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.125 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.406 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 14.2 t -146.6 162.69 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.9 m-70 -118.01 150.75 38.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 91.8 mt 37.0 95.8 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p -79.17 -54.21 6.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.775 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.623 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.623 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' A' ' 42' ' ' ARG . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -55.93 116.77 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -153.05 137.96 17.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' H ' ' A' ' 54' ' ' ARG . 39.4 t -128.19 155.19 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.419 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.82 -20.68 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 89.1 mtm180 -58.4 -45.4 88.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.593 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -153.1 127.91 9.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.441 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.3 m -63.29 -43.81 96.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m -58.84 -27.91 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.65 44.83 79.51 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.4 tt -63.29 -45.29 92.09 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.736 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.607 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 154.25 -104.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.503 0.502 . . . . 0.0 110.415 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.575 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.5 mt -132.25 129.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 0.7 OUTLIER -142.23 151.84 42.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -131.47 167.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.63 -60.16 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.506 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.644 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.644 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.713 HG21 ' N ' ' A' ' 92' ' ' TYR . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.713 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.43 HH11 H5'' ' B' ' 204' ' ' ' DA' . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.8 m80 -85.64 117.86 24.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -141.97 139.55 32.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.465 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' O ' ' SD ' ' A' ' 103' ' ' MET . 65.8 mt-30 -155.31 148.3 18.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.12 158.69 51.68 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.831 2.354 . . . . 0.0 112.205 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 19.18 71.1 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 100' ' ' GLN . 99.7 mtp -96.43 129.81 43.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -81.28 132.51 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p -86.21 165.02 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' H ' ' HG1' ' A' ' 106' ' ' THR . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.498 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 133' ' ' PHE . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.52 -40.88 96.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.37 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.612 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.476 ' O ' ' O ' ' A' ' 130' ' ' ARG . 96.7 m-85 -107.29 117.27 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.452 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.2 mt -110.12 130.69 55.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 134' ' ' LEU . 4.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.623 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.852 0 C4'-C3'-C2' 105.017 1.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.732 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.608 ' OP2' ' CG2' ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-N19 104.981 -3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.476 " C2'" ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.811 0 O4'-C4'-C3' 107.859 2.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.476 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.914 0 O4'-C4'-C3' 107.379 1.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.506 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.714 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.494 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.831 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.047 0 O4'-C1'-C2' 108.174 1.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.515 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.409 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.41 0 C4'-C3'-C2' 105.203 2.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.768 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-C2' 108.191 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.768 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.479 4.599 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.711 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.099 0 C4'-C3'-C2' 104.815 1.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.685 0 C4'-C3'-C2' 105.277 2.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.531 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O4'-C4'-C3' 108.402 2.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.406 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.421 -2.271 0 C4'-C3'-C2' 105.145 1.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.623 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.698 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 26' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 83.6 tttt -37.83 162.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.314 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' H ' HG22 ' A' ' 30' ' ' THR . . . 59.55 -168.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.526 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' ALA . 98.2 mm-40 35.28 65.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.261 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 55.06 86.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.148 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 27' ' ' ALA . 4.9 t -135.58 164.74 27.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.823 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -148.78 123.61 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.341 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp 51.75 77.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.251 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p -59.81 -47.09 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.443 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.421 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.542 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -45.21 97.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 tp -123.23 122.16 37.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 54' ' ' ARG . 53.6 t -127.23 135.49 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.515 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.8 t0 -91.51 -18.9 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' H ' HG12 ' A' ' 52' ' ' VAL . 91.3 mtm-85 -58.26 -49.61 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -150.48 128.06 11.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.634 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m -64.35 -44.62 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.419 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p -58.78 -29.38 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 66' ' ' ILE . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD2' ' CE1' ' A' ' 76' ' ' HIS . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.42 73.7 0.6 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' O ' ' O ' ' A' ' 74' ' ' ALA . 5.9 tt -110.87 153.6 25.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -55.4 -140.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.038 0.447 . . . . 0.0 110.853 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 75' ' ' ILE . 96.2 mt -58.84 154.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.583 ' CE1' ' CD2' ' A' ' 68' ' ' TYR . 28.5 p-80 -159.91 117.2 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.613 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.3 p -131.42 145.68 51.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.524 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 -36.45 -57.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.524 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 77' ' ' THR . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.528 HE22 ' CB ' ' A' ' 80' ' ' ALA . 2.1 mp0 -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.482 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' N ' HG23 ' A' ' 91' ' ' VAL . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.4 m80 -71.77 125.9 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 85.3 mtp180 -142.1 149.45 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 1.2 mt-30 165.77 145.4 0.05 OUTLIER Pre-proline 0 N--CA 1.454 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.58 158.36 56.11 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.769 2.312 . . . . 0.0 112.286 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.57 62.22 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.0 mtp -84.6 137.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -100.79 123.4 44.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p -87.19 164.52 16.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.603 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.449 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.24 -35.23 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.15 -44.08 97.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.62 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -65.5 -40.88 93.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.8 mt -73.55 141.53 46.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.622 2.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.614 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.779 0 C4'-C3'-C2' 105.06 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.657 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.584 ' OP2' ' CG1' ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.436 -2.879 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.433 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.404 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.67 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.636 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.6 2.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.19 0 O4'-C1'-C2' 107.995 1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.63 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.63 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.033 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 0 C4'-C3'-C2' 105.098 1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.842 0 O4'-C4'-C3' 107.854 2.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.614 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' CG2' ' A' ' 30' ' ' THR . 76.5 tttt -56.26 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.91 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ARG . 99.0 mm-40 -80.43 79.06 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 28' ' ' GLN . 85.3 mtp180 43.63 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 26' ' ' LYS . 14.4 t -140.63 131.48 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -85.84 -52.31 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 50.1 tp -131.23 109.34 10.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.502 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -64.18 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -178.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.408 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.96 103.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -116.18 127.67 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG11 ' H ' ' A' ' 55' ' ' LYS . 42.7 t -123.38 132.13 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 66.4 t0 -99.99 -33.88 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -61.85 -50.41 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.524 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' H ' HG11 ' A' ' 52' ' ' VAL . 54.6 mtpt -145.14 120.2 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -65.91 -29.83 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t -61.05 -36.91 80.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HD11 HG23 ' A' ' 66' ' ' ILE . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . 49.31 102.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.24 -65.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.54 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -175.89 -131.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.8 128.91 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -136.51 154.89 50.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.583 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 3.6 p -132.18 154.71 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 -37.08 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 77' ' ' THR . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.703 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.703 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG2' ' OP2' ' B' ' 205' ' ' ' DA' . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' CZ ' ' OP1' ' B' ' 204' ' ' ' DA' . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -72.32 125.58 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -142.62 133.81 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -154.71 149.16 19.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.64 152.15 69.87 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.829 2.353 . . . . 0.0 112.105 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.11 71.87 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 60.0 ttm -81.7 130.3 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.513 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -76.08 154.79 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p -128.01 157.43 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.448 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.84 -40.81 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -43.37 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.9 m-85 -130.01 142.22 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.54 130.96 54.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.622 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.447 ' OP1' ' CZ ' ' A' ' 95' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.424 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.485 ' OP2' ' CG2' ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-C2' 108.639 2.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.416 H2'' ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.386 -2.597 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.428 ' C2 ' ' C2 ' ' C' ' 219' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.597 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.365 -4.269 0 O4'-C4'-C3' 107.618 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.055 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.485 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.372 -3.664 0 O4'-C1'-C2' 108.792 2.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.745 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.446 1.978 0 O4'-C4'-C3' 107.768 2.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.745 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.424 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 107.794 2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' N ' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.652 ' NZ ' ' O2 ' ' C' ' 222' ' ' ' DT' . 6.9 tppt? -32.46 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 88.68 176.49 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.141 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 99.5 mm-40 -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -152.2 109.57 3.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 t -146.35 162.27 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -105.44 -32.08 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.2 mt -132.97 120.58 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.619 ' OG ' ' N ' ' A' ' 25' ' ' ALA . 1.7 t -102.9 -63.99 1.12 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.781 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HB2' ' N ' ' A' ' 25' ' ' ALA . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.781 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.473 ' CG2' ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' NH2' ' CG2' ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -46.65 95.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' HIS . 40.8 tp -118.91 123.69 45.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG13 ' H ' ' A' ' 54' ' ' ARG . 56.0 t -124.98 134.56 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.1 t0 -91.2 -18.32 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' H ' HG13 ' A' ' 52' ' ' VAL . 89.0 mtm180 -58.35 -51.08 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.544 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -150.24 133.59 16.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.564 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -67.29 -33.53 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -68.47 -30.44 69.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.73 71.73 0.6 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 4.7 tt -94.83 -69.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.221 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -174.47 -152.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.54 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 HG23 ' A' ' 75' ' ' ILE . 79.5 mt -103.9 120.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.543 ' CD2' ' OP2' ' B' ' 207' ' ' ' DA' . 36.1 m170 -133.45 178.24 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.58 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 1.0 OUTLIER -135.62 158.76 43.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.63 -56.61 2.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.554 ' CB ' HE22 ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' O ' ' A' ' 77' ' ' THR . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.689 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 71.2 m-20 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.554 HE22 ' CB ' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.419 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.561 HG13 ' OP2' ' B' ' 205' ' ' ' DA' . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.3 m80 -85.55 137.26 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 82.7 mtp180 -65.5 -39.23 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 10.3 tp60 79.35 53.37 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.64 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 100' ' ' GLN . 56.7 Cg_endo -72.4 151.32 53.59 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.879 2.386 . . . . 0.0 112.263 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.24 19.28 78.58 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.7 mtt -136.46 149.14 48.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p -77.22 166.88 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HG ' HH12 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.45 ' CE3' ' CG1' ' A' ' 44' ' ' VAL . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -61.1 -34.68 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.72 -44.27 96.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.672 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.73 -45.32 90.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.6 mt -116.92 126.67 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.552 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C1'-C2' 108.395 2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.101 0 C4'-C3'-C2' 105.258 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.016 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.51 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.523 1.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.561 ' OP2' HG13 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.42 -2.344 0 O4'-C1'-N19 105.453 -2.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.459 " H4'" ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 P--O5' 1.613 2.011 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.543 ' OP2' ' CD2' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.689 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.197 0 C4'-C3'-C2' 105.287 2.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-C2' 108.1 1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.134 0 O4'-C4'-C3' 107.586 1.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 O4'-C4'-C3' 108.032 2.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.448 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.813 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-C2' 108.186 1.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.813 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.379 1 O4'-C1'-N19 112.154 5.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.419 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.839 0 C4'-C3'-C2' 104.91 1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C4'-C3'-C2' 105.031 1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.652 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.873 0 C4'-C3'-C2' 105.049 1.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.951 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.88 2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.695 ' H ' " H5'" ' B' ' 206' ' ' ' DC' . 32.0 ttmt -65.79 136.28 56.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.579 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . 80.58 -155.41 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.172 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 25' ' ' ALA . 2.2 pp0? 21.83 62.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.746 0.654 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 60.01 98.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 27' ' ' ALA . 2.0 t -148.61 157.49 43.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -124.06 -57.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.36 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -120.7 127.87 52.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p -95.35 -62.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' SER . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.801 ' NZ ' ' OP1' ' B' ' 205' ' ' ' DA' . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -55.94 113.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 tp -149.83 130.18 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.535 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -123.9 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.496 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 54' ' ' ARG . 64.5 t0 -65.0 -38.36 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' ASP . 94.3 mtt-85 -32.43 -78.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -134.56 135.52 42.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -63.64 -33.54 75.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -61.93 -32.89 73.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.512 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.44 48.43 76.01 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.1 tt -66.0 -47.24 75.15 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.094 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 153.73 -104.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.451 0.469 . . . . 0.0 110.284 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.581 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.4 mt -136.55 129.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.581 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -140.64 158.02 44.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.617 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.1 p -132.43 151.06 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.0 mt-10 -34.29 -60.06 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 77' ' ' THR . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.599 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 74.9 m-20 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.574 ' NE2' ' OP2' ' B' ' 207' ' ' ' DA' . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.541 ' O ' HG21 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.416 HH22 ' H72' ' C' ' 218' ' ' ' DT' . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 92' ' ' TYR . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.699 ' N ' HG21 ' A' ' 91' ' ' VAL . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -62.41 128.36 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 100' ' ' GLN . 85.8 mtp180 -104.0 1.84 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ARG . 56.4 mt-30 -30.03 95.13 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 O-C-N 123.609 0.568 . . . . 0.0 110.763 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' ARG . 60.8 Cg_endo -79.14 158.26 26.66 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.801 2.334 . . . . 0.0 112.488 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.89 8.77 75.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.7 140.76 31.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -79.98 135.78 36.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p -82.48 165.85 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.585 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.731 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.478 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.85 -36.04 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -43.71 98.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -63.38 -43.0 98.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.18 141.46 43.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.621 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.806 0 C4'-C3'-C2' 105.187 1.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.165 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.61 1.657 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.801 ' OP1' ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 P--O5' 1.619 2.569 0 O4'-C4'-C3' 108.107 2.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.695 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.304 0 O4'-C1'-N19 109.499 2.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.574 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.575 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.599 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.166 0 O4'-C4'-C3' 107.49 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-C2' 108.254 1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.694 0 O4'-C4'-C3' 107.367 1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.88 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-C2' 108.258 1.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.722 0 C4'-C3'-C2' 105.336 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.606 1.265 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.761 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.597 0 O4'-C1'-C2' 108.022 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.761 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.416 ' H72' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -1.996 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.799 0 C4'-C3'-C2' 105.03 1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.4 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.621 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C4'-C3' 107.402 1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 37' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -47.42 -95.52 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 92.29 -171.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.64 0.587 . . . . 0.0 111.001 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 85.2 mt-30 -93.87 -7.86 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -176.42 106.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -151.41 158.02 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -99.77 -35.39 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.421 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.2 mt -124.15 132.24 53.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.361 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m -113.42 -72.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.136 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.56 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -50.81 115.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.25 126.77 17.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG11 ' H ' ' A' ' 54' ' ' ARG . 2.4 t -127.04 133.67 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -86.99 -9.74 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' H ' HG11 ' A' ' 52' ' ' VAL . 94.7 mtm-85 -61.86 -44.33 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -149.45 133.7 17.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.83 -46.3 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.677 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 49.84 71.33 0.63 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 5.2 tt -90.6 -72.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -175.41 -127.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 75' ' ' ILE . 46.5 mm -108.46 126.84 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.487 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.45 153.79 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 29.8 p -134.72 154.51 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.403 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 78' ' ' GLU . 57.9 mp0 -34.64 -59.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.295 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' HB1' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 77' ' ' THR . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.586 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.672 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.672 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.433 HG22 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.759 ' NH2' HE22 ' A' ' 94' ' ' GLN . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.617 ' N ' HG22 ' A' ' 91' ' ' VAL . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.759 HE22 ' NH2' ' A' ' 90' ' ' ARG . 46.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.594 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.8 m80 -71.79 139.75 49.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -133.97 138.83 45.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -155.49 109.45 2.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.53 153.07 34.4 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.869 2.379 . . . . 0.0 112.075 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.84 81.57 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.0 ttm -98.92 130.37 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.26 132.32 35.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p -86.35 168.22 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.406 HD12 ' NH1' ' A' ' 122' ' ' ARG . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.647 HH22 ' CD2' ' A' ' 134' ' ' LEU . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -39.32 -27.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' ARG . 98.7 mttt -63.02 -44.9 94.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.728 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 130' ' ' ARG . 83.5 m-85 -67.13 -39.23 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.647 ' CD2' HH22 ' A' ' 130' ' ' ARG . 96.0 mt -71.94 140.88 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.534 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.609 1.614 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.079 1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.417 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.241 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.551 H5'' ' CE ' ' A' ' 37' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-N19 105.172 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 105.585 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.586 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 C4'-C3'-C2' 105.408 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.428 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.241 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 O4'-C1'-C2' 108.017 1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C4'-C3' 107.621 2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.443 0 C4'-C3'-C2' 105.296 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.703 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.304 1.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.703 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.097 1 O4'-C1'-N19 111.213 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.7 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 0 C4'-C3'-C2' 104.995 1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.798 0 C4'-C3'-C2' 105.192 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C4'-C3'-C2' 105.259 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.595 " C4'" ' HZ3' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.432 " H5'" ' HZ1' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.875 0 O4'-C4'-C3' 107.594 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.534 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.887 2.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' O ' ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.604 ' HZ3' " C1'" ' C' ' 222' ' ' ' DT' . 55.3 tttm -55.55 149.22 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' H ' HG22 ' A' ' 30' ' ' THR . . . 57.15 166.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 58.11 64.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.617 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 59.06 81.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 1.4 t -133.44 163.1 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -147.3 -12.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.94 149.79 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.571 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.526 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p -137.72 -85.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.539 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -43.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -113.81 127.89 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 42.3 t -123.23 133.11 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.1 t0 -100.94 -31.41 11.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -63.91 -52.15 61.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 55.0 mtpt -144.85 124.09 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.3 p -67.69 -31.6 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.511 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m -60.07 -36.82 78.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.39 -7.69 67.36 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 74' ' ' ALA . 57.7 tp -54.86 146.27 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.781 0.325 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -33.36 158.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 76' ' ' HIS . 95.2 mt -61.06 -43.43 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' OP2' ' B' ' 207' ' ' ' DA' . 33.4 m170 55.76 119.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.589 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.7 p -81.34 159.52 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 -36.03 -57.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.589 ' SG ' ' O ' ' A' ' 77' ' ' THR . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.4 m-20 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.572 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.61 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 76.1 m80 -76.26 117.82 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -140.51 147.6 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.39 154.66 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.95 152.17 73.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.878 2.386 . . . . 0.0 112.098 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.46 24.36 70.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 31.4 ttm -80.48 128.17 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -73.53 149.13 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p -124.51 158.52 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.658 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.49 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.01 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.63 -40.71 97.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -72.51 140.81 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.78 132.0 54.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 134' ' ' LEU . 28.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C1'-O4'-C4' 106.566 -2.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.594 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.479 ' OP1' ' OE2' ' A' ' 36' ' ' GLU . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.544 ' OP2' ' CD2' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.566 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.475 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C1'-N19 110.168 2.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.11 0 O4'-C1'-C2' 109.495 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.266 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.475 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 1 O4'--C1' 1.366 -4.131 0 O4'-C1'-C2' 109.293 2.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.698 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.698 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.843 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.743 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.604 " C1'" ' HZ3' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.574 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C1'-N19 109.702 2.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.75 ' NZ ' ' CG ' ' A' ' 31' ' ' HIS . 25.8 ttpt -62.06 -40.89 97.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.99 143.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.536 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.577 ' O ' " O3'" ' B' ' 206' ' ' ' DC' . 6.3 tt0 -83.9 -40.66 18.3 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.939 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -100.14 10.07 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.646 ' CG2' ' N ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -144.66 177.0 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 -179.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.75 ' CG ' ' NZ ' ' A' ' 26' ' ' LYS . 4.1 t-160 -39.13 134.64 1.06 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 31' ' ' HIS . 2.8 mt -87.0 -161.69 0.71 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.503 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t -111.64 139.06 47.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HZ1' ' HE2' ' A' ' 31' ' ' HIS . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -52.87 134.33 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -169.45 137.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.443 ' CG1' ' OE1' ' A' ' 58' ' ' GLU . 46.8 t -130.87 155.28 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 49.1 t0 -96.47 -22.21 17.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.25 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 92.3 mtm-85 -56.05 -46.22 78.98 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.477 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -149.71 129.5 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.464 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -63.27 -44.01 96.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -62.94 -19.77 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' OE1' ' CG1' ' A' ' 52' ' ' VAL . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 66' ' ' ILE . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.35 13.25 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.28 -81.91 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -171.2 -156.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.631 ' CG2' ' H ' ' A' ' 76' ' ' HIS . 36.7 mm -59.18 179.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.631 ' H ' ' CG2' ' A' ' 75' ' ' ILE . 62.4 m170 -106.94 146.17 31.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.48 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.584 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.0 OUTLIER -167.0 93.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.937 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.45 -48.75 2.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.704 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.584 ' SG ' ' O ' ' A' ' 77' ' ' THR . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.7 m-20 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.704 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.421 HG23 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 HH22 ' H73' ' C' ' 218' ' ' ' DT' . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG1' ' OP2' ' B' ' 205' ' ' ' DA' . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' N ' HG22 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH1' ' OP1' ' B' ' 204' ' ' ' DA' . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 80.7 m80 -84.95 132.35 34.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -89.86 151.5 21.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.423 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.655 ' NE2' ' SD ' ' A' ' 103' ' ' MET . 17.7 mm100 -126.65 63.94 55.66 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.602 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.29 144.06 40.63 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.668 2.245 . . . . 0.0 112.116 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.63 22.75 76.79 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.655 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 66.8 mtt -122.91 144.48 49.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -83.67 136.04 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p -82.94 168.28 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.37 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.715 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.19 -33.04 25.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.93 -41.22 99.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.428 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.495 ' O ' ' O ' ' A' ' 130' ' ' ARG . 81.1 m-85 -103.02 145.46 29.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.3 mt -104.78 130.19 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 108.587 2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.973 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.979 0 C4'-C3'-C2' 105.155 1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.559 ' OP1' ' NH1' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.883 0 C4'-C3'-C2' 105.416 2.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.612 " C4'" ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 1 O4'--C4' 1.388 -5.257 0 O4'-C1'-N19 104.863 -3.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.577 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 1 C5'--C4' 1.547 4.527 0 O5'-C5'-C4' 114.17 2.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.438 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.433 -1.206 0 O4'-C4'-C3' 108.181 2.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.537 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 O5'-C5'-C4' 113.157 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.117 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.049 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.93 2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.005 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.427 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.608 1.463 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.683 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C1'-C2' 108.05 1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.683 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.111 2.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.421 ' H73' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 0 O4'-C4'-C3' 107.652 2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 C4'-C3'-C2' 105.042 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . 0.439 " O4'" ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.535 " O4'" HG22 ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.185 1.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C4'-C3' 108.011 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.85 2.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.652 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 87.9 tttt -59.3 77.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 156.71 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.6 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.9 mm-40 -35.05 -37.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.237 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' ALA . 24.2 ptt180 177.38 101.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.188 0.518 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 HG21 ' H ' ' A' ' 27' ' ' ALA . 5.0 t -142.25 154.93 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.74 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -129.78 -39.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.22 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' SER . 95.6 mt -140.46 72.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.076 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -38.91 -64.21 0.46 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.715 -179.054 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' N ' ' HZ2' ' A' ' 37' ' ' LYS . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HZ2' ' N ' ' A' ' 34' ' ' LEU . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 67.1 m80 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 -39.13 96.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . 42.5 tp -118.66 119.54 34.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.425 ' CG1' ' H ' ' A' ' 54' ' ' ARG . 49.8 t -128.21 137.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -95.52 -6.74 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 92.0 mtm-85 -65.59 -41.45 92.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -166.88 130.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.49 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 m -62.08 -42.34 99.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p -58.51 -32.41 68.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.531 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 66' ' ' ILE . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.34 87.06 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.6 128.83 37.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.451 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.55 142.65 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 pt -128.64 164.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.539 ' CE1' ' OP1' ' B' ' 207' ' ' ' DA' . 50.0 m80 -129.46 -55.92 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 HG21 ' H ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -159.04 164.86 35.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -56.04 -40.45 73.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' H ' HG21 ' A' ' 77' ' ' THR . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.511 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.575 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.698 ' O ' HG21 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.641 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.522 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 34.9 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 63.1 m80 -68.39 124.93 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 141.55 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.63 153.98 0.83 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.637 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.98 155.38 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.883 2.389 . . . . 0.0 112.194 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.85 23.83 59.07 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.0 ttp -81.28 132.61 35.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -83.83 153.83 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -123.26 131.81 53.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.441 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 133' ' ' PHE . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -40.28 91.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.97 -41.58 99.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.1 m-85 -100.7 119.52 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.67 131.18 55.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.606 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.762 0 C4'-C3'-C2' 105.009 1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.465 1.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.652 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.049 0 O4'-C4'-C3' 107.983 2.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.538 ' OP2' ' CG1' ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.451 -1.991 0 O4'-C4'-C3' 108.422 2.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.631 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C4' 1.425 -1.911 0 C4'-C3'-C2' 105.137 1.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.539 ' OP1' ' CE1' ' A' ' 76' ' ' HIS . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.575 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.613 0 C4'-C3'-C2' 105.562 2.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C4'-C3' 108.021 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.048 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 O4'-C4'-C3' 107.801 2.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 C4'-C3'-C2' 105.525 2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.701 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.752 0 C4'-C3'-C2' 104.933 1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.701 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.094 1 O4'-C1'-N19 111.936 5.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.641 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.211 0 O4'-C4'-C3' 107.347 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.565 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.763 0 C4'-C3'-C2' 104.949 1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.711 0 C4'-C3'-C2' 105.345 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 C4'-C3'-C2' 105.16 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' NZ ' " O4'" ' B' ' 205' ' ' ' DA' . 2.9 tptm -125.55 125.63 43.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 77.49 9.87 2.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -130.33 58.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.259 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 58.18 82.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.216 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -141.3 155.38 45.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.74 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -118.27 -50.27 2.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.078 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.9 tp -124.79 95.74 4.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.987 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p -62.08 -53.81 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.326 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.722 ' HZ3' ' P ' ' B' ' 205' ' ' ' DA' . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 38' ' ' ILE . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.33 116.52 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -151.82 133.83 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.434 HG11 ' H ' ' A' ' 55' ' ' LYS . 50.9 t -126.26 134.62 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.479 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -83.2 -21.01 33.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -62.8 -43.3 99.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' H ' HG11 ' A' ' 52' ' ' VAL . 35.0 tttp -152.06 119.39 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -63.83 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -55.26 -33.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.166 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 63' ' ' ILE . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 66' ' ' ILE . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.52 32.41 81.58 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 17.1 tp -59.77 -59.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.692 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 73' ' ' LEU . . . 156.1 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.643 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 20.4 tt -83.47 117.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.428 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' ND1' ' OP1' ' B' ' 207' ' ' ' DA' . 97.5 m-70 -134.84 139.51 45.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -85.15 169.53 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.452 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.89 -46.46 74.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.518 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.665 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.665 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.58 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.452 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.587 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.7 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 -71.77 124.25 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' GLN . 72.7 mtp180 -128.38 3.45 5.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.2 OUTLIER -36.87 155.45 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.98 157.38 60.15 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.873 2.382 . . . . 0.0 112.159 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.24 35.13 15.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttm -82.54 120.11 25.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -81.73 144.51 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m -114.66 129.33 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.561 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.719 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.535 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.488 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.3 -40.94 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.33 -41.81 98.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -100.67 120.27 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.0 mt -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.6 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.426 -1.824 0 C4'-C3'-C2' 105.265 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 107.275 1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.722 ' P ' ' HZ3' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.48 " H4'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.024 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.516 ' OP1' ' ND1' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C4'-C3' 107.481 1.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.542 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C4'-C3' 107.393 1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.749 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 108.217 2.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-C2' 108.704 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.979 2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.318 0 C4'-C3'-C2' 105.178 1.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.815 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.748 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.815 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 1 O4'-C1'-N19 111.652 4.815 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.452 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C4'-C3'-C2' 104.934 1.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 C4'-C3'-C2' 104.951 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.782 0 C4'-C3'-C2' 105.27 2.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.978 0 C4'-C3'-C2' 105.497 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.948 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.083 0 C4'-C3'-C2' 105.205 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.6 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C4'-C3' 108.081 2.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.631 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 87.6 tttt -70.46 144.89 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 87.37 -49.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.436 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -79.23 67.57 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.062 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 63.59 85.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.991 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 27' ' ' ALA . 6.6 t -136.34 160.4 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.698 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -132.41 -42.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.384 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -138.73 90.34 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.167 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p -61.96 -50.27 72.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' NZ ' ' P ' ' B' ' 205' ' ' ' DA' . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.465 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 51' ' ' LEU . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -44.36 91.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' HIS . 44.7 tp -115.23 124.02 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.4 t -126.03 129.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.583 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' O ' ' O ' ' A' ' 54' ' ' ARG . 64.1 t0 -72.91 -41.18 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.705 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 53' ' ' ASP . 99.8 mtt180 -44.58 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.637 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -112.3 142.49 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.2 p -77.44 -21.53 52.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.461 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 38.8 t -59.98 -42.4 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 66' ' ' ILE . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.95 -46.67 1.57 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.14 135.1 16.99 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.729 0.3 . . . . 0.0 110.891 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.28 126.76 40.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.1 pt -148.78 25.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.487 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' C ' ' CG2' ' A' ' 77' ' ' THR . 85.5 t60 -73.59 89.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.325 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.599 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.1 OUTLIER -158.99 0.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.6 tt0 60.1 -69.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.096 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 77' ' ' THR . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.517 ' SG ' ' CB ' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' NH1' ' OP2' ' C' ' 215' ' ' ' DT' . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.588 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' NE2' ' C8 ' ' B' ' 207' ' ' ' DA' . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD11 HG23 ' A' ' 85' ' ' ILE . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.408 HG12 ' HZ1' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.721 ' NH2' HE22 ' A' ' 94' ' ' GLN . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.721 HE22 ' NH2' ' A' ' 90' ' ' ARG . 72.8 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -53.23 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 43.06 85.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -137.2 154.12 75.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.63 156.77 62.78 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.872 2.382 . . . . 0.0 112.192 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.66 2.91 62.88 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 66.8 mtt -99.01 127.95 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -83.64 137.34 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p -79.46 159.7 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.645 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.492 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 133' ' ' PHE . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.58 -39.89 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.88 -41.88 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.9 m-85 -98.45 143.13 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.6 mt -109.77 130.85 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.55 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.928 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.631 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 108.126 2.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.678 ' P ' ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.667 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.578 " C5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.091 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.524 ' C8 ' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.588 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.614 2.084 0 O4'-C4'-C3' 107.339 1.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.46 H2'' ' C8 ' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.037 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.46 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-C2' 108.146 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.221 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C4'-C3' 108.172 2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.954 2.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.572 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.58 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.753 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.744 0 C4'-C3'-C2' 105.099 1.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.753 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.606 1 O4'-C1'-N19 112.333 5.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 C4'-C3'-C2' 104.965 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.959 0 C4'-C3'-C2' 105.037 1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.73 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.944 0 C4'-C3'-C2' 104.946 1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.55 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.686 2.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' N ' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 57.9 tttt -27.05 143.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.632 ' C ' ' H ' ' A' ' 29' ' ' ARG . . . 58.58 161.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 66.73 -33.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.5 mmt85 168.47 102.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -149.9 166.35 29.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -123.97 -78.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' O ' ' OG ' ' A' ' 33' ' ' SER . 5.9 tp -106.79 -29.86 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p 76.97 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.801 ' N ' ' HZ3' ' A' ' 37' ' ' LYS . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.801 ' HZ3' ' N ' ' A' ' 34' ' ' LEU . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.601 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -48.28 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -112.94 127.0 56.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.4 t -123.56 133.32 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.571 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 66.9 t0 -103.33 -33.7 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -63.3 -47.03 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 54.9 mtpt -143.91 113.22 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.8 m -61.96 -41.76 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m -55.19 -34.22 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.427 HG22 HD13 ' A' ' 66' ' ' ILE . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.26 95.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -124.04 -73.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -147.87 -111.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.3 mm -113.56 144.6 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.601 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -90.94 127.63 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.497 ' OG1' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -139.31 172.94 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 -96.73 -60.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.58 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.497 ' CB ' ' OG1' ' A' ' 77' ' ' THR . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.642 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.557 ' NE2' ' OP2' ' B' ' 207' ' ' ' DA' . 78.3 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.704 ' O ' HG21 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.746 HG21 ' N ' ' A' ' 92' ' ' TYR . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.746 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.581 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.524 ' HE ' H5'' ' B' ' 204' ' ' ' DA' . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.581 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 75.7 m80 -75.89 131.35 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -141.48 144.37 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.44 130.64 1.93 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.39 156.75 50.19 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.844 2.362 . . . . 0.0 112.107 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.85 17.91 69.07 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 98.6 mmm -98.17 136.78 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.17 128.18 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p -87.52 166.96 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CZ3' ' NE ' ' A' ' 122' ' ' ARG . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.8 -35.07 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -63.55 -42.85 98.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.58 145.79 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.514 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.627 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.91 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.687 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.562 ' OP2' ' CG2' ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.822 2.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.546 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C1' 1.386 -2.632 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.557 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.786 2.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.642 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C1'-C2' 108.574 2.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.358 -4.752 0 O4'-C4'-C3' 107.569 1.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.378 -3.196 0 O4'-C1'-C2' 108.536 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.73 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.849 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.73 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . 0.412 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.393 -2.099 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.811 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.795 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.39 -2.273 0 O4'-C1'-N19 109.456 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.603 ' N ' ' O2 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' O ' ' C ' ' A' ' 27' ' ' ALA . 26.2 ttmt -58.94 134.38 56.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 26' ' ' LYS . . . 18.87 97.31 0.0 OUTLIER 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' ALA . 77.4 mt-30 -24.94 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.407 0.442 . . . . 0.0 110.602 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' ALA . 99.7 mtt180 -149.32 125.52 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.586 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 9.3 t -168.74 176.96 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -123.15 -35.66 2.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.134 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -138.41 90.76 2.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.5 m -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 38' ' ' ILE . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.37 116.24 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -153.3 140.91 19.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' H ' ' A' ' 54' ' ' ARG . 41.7 t -129.05 155.91 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.84 -21.36 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.804 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 91.1 mtm-85 -57.82 -45.46 86.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -154.45 128.09 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -62.97 -43.77 97.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.583 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.425 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t -57.48 -28.54 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 66' ' ' ILE . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.6 91.39 0.01 OUTLIER Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -113.56 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.14 179.289 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -173.45 -128.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.83 129.0 65.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -142.04 156.92 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.431 ' H ' ' HB1' ' A' ' 80' ' ' ALA . 1.4 p -133.85 162.27 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -43.37 -56.7 3.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.132 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.431 ' HB1' ' H ' ' A' ' 77' ' ' THR . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.682 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.561 ' NE2' ' OP2' ' B' ' 207' ' ' ' DA' . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.729 ' O ' HG21 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.729 HG21 ' O ' ' A' ' 88' ' ' ILE . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.532 ' N ' HG21 ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.6 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.3 m80 -47.86 -56.77 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.8 mtp180 33.58 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' HIS . 78.8 mt-30 -70.43 149.72 95.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.95 154.31 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.801 2.334 . . . . 0.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.84 75.05 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.3 ttm -84.37 126.23 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.2 151.29 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p -127.7 152.99 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 106' ' ' THR . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.431 ' NE1' ' CD1' ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.415 HH11 HD22 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -62.57 -35.37 79.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.51 -43.84 96.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.78 -45.15 91.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.3 mt -113.86 125.5 54.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.69 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.562 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C1'-O4'-C4' 107.382 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 108.029 2.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.41 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.538 ' OP2' HG22 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.603 ' O2 ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.614 2.126 0 C4'-C3'-C2' 105.051 1.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.561 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.682 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 105.14 1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.063 0 C4'-C3'-C2' 105.121 1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.575 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.248 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.651 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.934 2.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.188 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.166 0 C4'-C3'-C2' 104.891 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.555 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 C4'-C3'-C2' 105.242 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . 0.491 ' O2 ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.613 1.966 0 C4'-C3'-C2' 105.072 1.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 C4'-C3'-C2' 105.186 1.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.537 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.474 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.811 0 C4'-C3'-C2' 104.956 1.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.562 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' N ' ' OG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -65.25 -154.34 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.066 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 26' ' ' LYS . . . 150.14 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.346 0.438 0 O-C-N 124.367 1.042 . . . . 0.0 110.869 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -90.86 -11.31 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.054 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -176.63 99.56 0.06 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -142.69 173.19 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 74.1 m80 -114.22 -48.98 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 4.5 mm? -115.95 133.09 56.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.618 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.596 ' OG ' ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -111.83 -65.84 1.14 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.985 179.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' HD3' ' OP1' ' B' ' 205' ' ' ' DA' . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.17 99.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' CD2' HH11 ' A' ' 122' ' ' ARG . 79.6 mt -113.48 134.59 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG13 ' H ' ' A' ' 55' ' ' LYS . 75.5 t -124.98 134.67 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.0 t0 -95.21 -29.32 14.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.432 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.99 -45.71 92.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 52' ' ' VAL . 78.2 tttt -162.78 134.61 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -66.77 -26.19 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.466 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t -61.19 -40.7 94.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' ' CG1' ' A' ' 52' ' ' VAL . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' CB ' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 66' ' ' ILE . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.82 45.01 91.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.2 tt -63.05 -46.32 88.04 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 153.29 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.432 0.457 . . . . 0.0 110.52 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.0 mt -134.26 130.91 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.702 ' NE2' ' NE2' ' A' ' 84' ' ' GLN . 1.1 m-70 -140.34 166.16 25.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.608 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -144.26 150.42 37.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 -30.86 -62.45 0.17 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.471 0.482 . . . . 0.0 111.057 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' H ' HG23 ' A' ' 77' ' ' THR . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 77' ' ' THR . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.584 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 65.8 m-20 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.702 ' NE2' ' NE2' ' A' ' 76' ' ' HIS . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.584 ' O ' HG21 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.72 HH21 HE22 ' A' ' 94' ' ' GLN . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.52 ' N ' HG21 ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.72 HE22 HH21 ' A' ' 90' ' ' ARG . 73.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.564 ' NE ' ' OP1' ' B' ' 204' ' ' ' DA' . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 74.5 m80 -74.0 127.03 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 148.79 38.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.412 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 169.96 142.47 0.08 OUTLIER Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.71 160.22 48.69 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.782 2.321 . . . . 0.0 112.199 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.55 2.27 60.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 67.1 mtt -98.01 128.89 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.532 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -87.77 133.69 33.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p -85.4 165.24 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.577 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.768 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.491 ' CD1' ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.99 -39.25 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.64 -44.14 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.7 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.5 m-85 -134.73 144.0 47.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.62 141.47 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.842 2.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.65 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.32 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . 0.564 ' OP1' ' NE ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' ' DA' . . . . . 0.609 ' OP1' ' HD3' ' A' ' 37' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -2.958 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . 0.643 ' P ' HE21 ' A' ' 84' ' ' GLN . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ' DA' . . . . . 0.454 ' N6 ' ' C4 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.584 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.141 0 C4'-C3'-C2' 105.114 1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ' DT' . . . . . 0.404 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.669 2.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.751 0 O4'-C4'-C3' 107.659 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O4'-C1'-C2' 108.326 2.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.976 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.549 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.491 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 216' ' ' ' DA' . . . . . 0.627 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 217' ' ' ' DT' . . . . . 0.627 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.778 1 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.199 0 O4'-C4'-C3' 107.564 1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.507 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 0 C4'-C3'-C2' 105.248 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 222' ' ' ' DT' . . . . . 0.517 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.497 1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.559 " O4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.923 0 C4'-C3'-C2' 105.122 1.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 224' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.888 2.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.583 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.721 0.296 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.827 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.023 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.827 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 1.023 HE22 ' HB1' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.5 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.758 0.313 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' CG ' ' OG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.78 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.78 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.559 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.742 0.306 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' SER . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 71' ' ' GLU . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.629 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB2' ' CD ' ' A' ' 122' ' ' ARG . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.413 ' OG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.036 0.446 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 43' ' ' LEU . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.782 0.325 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.855 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH2' ' OG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.855 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' MET . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' SER . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.0 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.851 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.851 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 96.8 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.707 0.289 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 39' ' ' LYS . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.816 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.89 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.89 HE22 ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.5 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.2 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.714 0.292 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.827 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 36' ' ' GLU . 89.6 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 43' ' ' LEU . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.596 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.855 0.36 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.83 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.83 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 88' ' ' ILE . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 85' ' ' ILE . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.616 0.246 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HE3' ' C ' ' A' ' 33' ' ' SER . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' CE3' ' A' ' 119' ' ' TRP . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.916 0.389 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 57' ' ' SER . 67.1 tt0 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.762 0.315 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.849 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.849 HD11 ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.575 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 1.5 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.391 0.139 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.57 0.224 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.631 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.631 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.586 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.777 0.322 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.819 ' NE1' HD11 ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.437 HH11 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.819 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.653 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 39' ' ' LYS . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.31 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.664 0.268 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.692 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.692 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.472 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HG22 ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.8 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.647 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.509 HD21 ' NH1' ' A' ' 122' ' ' ARG . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.639 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.713 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.713 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.704 0.288 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.841 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.602 0.239 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.437 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.841 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 91' ' ' VAL . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.642 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.4 m80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.787 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.787 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.516 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.34 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' SER . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HE3' ' C ' ' A' ' 33' ' ' SER . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 119' ' ' TRP . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.811 0.338 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.469 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.551 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.674 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.674 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.833 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.833 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.7 t . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.861 0.362 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HZ1' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.511 HG22 ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NH2' HG22 ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HE3' ' NE2' ' A' ' 49' ' ' HIS . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.809 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.879 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.879 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.3 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.752 0.311 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.58 HD23 HH22 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.684 0.278 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' SER . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' CE ' ' HA ' ' A' ' 34' ' ' LEU . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.449 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG12 ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.797 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.725 0.298 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.682 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.53 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.591 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.614 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 57.9 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.642 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.929 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.8 m80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.475 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 126' ' ' LEU . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.54 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.421 HG22 ' NE ' ' A' ' 42' ' ' ARG . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.451 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.831 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.451 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.767 0.317 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.911 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.831 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.911 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 91' ' ' VAL . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.484 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.869 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.869 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD11 ' NH2' ' A' ' 122' ' ' ARG . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.646 0.26 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 63' ' ' ILE . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.778 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.545 ' O ' ' OE1' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.703 ' NE2' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 92' ' ' TYR . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.619 0.247 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.854 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.854 HD11 ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.715 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' C ' ' A' ' 33' ' ' SER . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 43' ' ' LEU . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 89.2 m-70 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.82 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 8.6 tm-20 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.608 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.835 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.452 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.1 m80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.682 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.682 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HD3' HG23 ' A' ' 88' ' ' ILE . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.457 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.53 0.205 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.638 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.638 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 88' ' ' ILE . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 78.5 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.767 0.317 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 88' ' ' ILE . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.477 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.635 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.514 ' HG ' ' CD ' ' A' ' 78' ' ' GLU . 38.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' CD ' ' HG ' ' A' ' 57' ' ' SER . 81.6 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.9 0.381 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.424 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.862 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.862 HD11 ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD11 ' NH2' ' A' ' 122' ' ' ARG . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.567 ' HZ1' ' CB ' ' A' ' 33' ' ' SER . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 43' ' ' LEU . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.952 ' O ' HG22 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.864 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.864 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.498 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 1.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' C ' ' A' ' 33' ' ' SER . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.449 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.66 0.267 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.837 0.351 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.79 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.79 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.607 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.841 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 88' ' ' ILE . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.834 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.623 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.639 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.639 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.466 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 74.5 m80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.858 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.858 HD11 ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 13.0 mptt -36.99 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 86.4 -176.2 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.248 0.343 . . . . 0.0 111.134 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.534 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 75.5 mt-30 -75.46 -40.73 57.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -150.72 115.85 5.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -154.67 158.37 39.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.628 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 86.3 t60 -85.16 -59.94 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' LEU . 37.8 tp -124.84 129.67 50.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.583 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p -95.61 -57.59 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.363 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' A' ' 32' ' ' LEU . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HB2' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.32 132.57 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -173.26 134.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG11 ' OE1' ' A' ' 58' ' ' GLU . 55.5 t -123.62 132.67 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.8 t0 -74.67 -34.57 62.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.82 -44.37 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -141.35 111.85 6.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.639 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.57 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t -58.79 -28.55 66.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HG11 ' A' ' 52' ' ' VAL . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.827 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.08 44.54 88.39 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.728 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.8 tt -62.08 -46.5 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.32 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.475 0.484 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' C ' ' HD1' ' A' ' 76' ' ' HIS . 97.3 mt -136.4 129.78 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.535 ' CE1' ' OP2' ' B' ' 207' ' ' ' DA' . 0.2 OUTLIER -140.86 159.13 42.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.712 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.3 p -131.83 150.91 52.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.381 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.8 mt-10 -34.64 -61.41 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.045 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.023 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.827 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.631 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 1.023 HE22 ' HB1' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 100' ' ' GLN . 17.5 m80 -56.05 -60.21 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.6 mtp180 34.74 28.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 98' ' ' HIS . 16.0 mt-30 -91.82 154.86 43.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.22 157.1 62.72 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.843 2.362 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.54 4.02 17.99 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.9 mtm -122.56 148.05 45.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -105.24 147.26 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p -71.17 138.58 49.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' CG ' ' OG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.78 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.78 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' A' ' 134' ' ' LEU . 48.0 mt-10 -62.75 -34.63 77.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.42 -43.45 97.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.42 -44.95 93.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.0 mt -111.12 124.13 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.56 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.659 0 C4'-C3'-C2' 104.839 1.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.741 0 C4'-C3'-C2' 105.144 1.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.468 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.664 2.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.905 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.404 -3.83 1 O4'-C1'-N19 104.353 -4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.463 " C5'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 C5'--C4' 1.528 2.079 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.551 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.498 1.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.631 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.233 0 O4'-C4'-C3' 107.41 1.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.437 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.517 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.897 0 O4'-C4'-C3' 107.312 1.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.517 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.218 1.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 108.077 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.435 0 C4'-C3'-C2' 105.448 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.691 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 C4'-C3'-C2' 104.87 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.691 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.451 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.799 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.84 0 C4'-C3'-C2' 105.019 1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.853 0 C4'-C3'-C2' 105.213 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.534 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.01 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.419 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 P--O5' 1.613 1.953 0 C4'-C3'-C2' 105.224 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.834 2.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -44.94 -168.08 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 123.852 0.72 . . . . 0.0 109.49 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 141.55 -128.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.996 0.81 . . . . 0.0 110.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 42.2 mt-30 -120.31 4.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 72.0 ttt-85 166.48 100.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.855 0.722 . . . . 0.0 110.576 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.999 HG21 ' O ' ' A' ' 25' ' ' ALA . 5.0 t -155.84 171.66 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.462 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.5 m-70 -126.79 142.31 51.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 31' ' ' HIS . 41.4 tp 45.13 100.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.559 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p -89.42 -50.77 5.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.618 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 71' ' ' GLU . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.629 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB2' ' CD ' ' A' ' 122' ' ' ARG . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -150.52 177.55 9.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -118.71 138.22 52.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 58' ' ' GLU . 38.6 t -120.91 130.27 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 52' ' ' VAL . 77.9 m-20 -152.57 -35.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 58' ' ' GLU . 95.9 mtm-85 -62.34 -45.75 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.02 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 99.0 mttt -146.59 158.81 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.706 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.7 m -62.98 -45.58 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.413 ' OG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m -91.8 13.08 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.637 ' HB3' HG13 ' A' ' 52' ' ' VAL . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 43' ' ' LEU . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.42 49.71 67.22 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 tt -68.3 -45.95 71.63 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.747 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 154.27 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.325 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.0 mt -136.91 116.27 15.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.85 157.78 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.44 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.6 p -132.63 162.49 31.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.85 -60.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.855 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH2' ' OG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.855 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.488 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.888 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -79.03 125.5 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -145.83 106.29 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.509 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -147.7 148.78 31.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.76 161.51 45.82 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.837 2.358 . . . . 0.0 112.112 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.17 -4.0 40.98 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.0 mtm -108.19 132.51 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.71 145.73 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p -79.24 163.09 25.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.851 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.851 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.501 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.3 mt-10 -52.9 -25.25 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.75 -43.73 95.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.557 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.83 -45.63 91.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 131' ' ' GLU . 87.4 mt -113.6 125.54 54.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 C4'-C3'-C2' 105.267 2.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.504 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.888 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.639 ' OP1' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.612 1.947 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.477 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.571 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.056 0 C4'-C3'-C2' 105.128 1.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.636 2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.481 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.497 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.836 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.497 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.087 0 O4'-C1'-C2' 108.215 1.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C4'-C3' 107.718 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.478 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.663 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.845 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-C2' 108.144 1.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.845 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.408 1 O4'-C1'-N19 111.376 4.47 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.038 0 C4'-C3'-C2' 104.843 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . 0.411 " H2'" ' H72' ' C' ' 222' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.669 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.504 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.615 2.218 0 O4'-C4'-C3' 107.874 2.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.472 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.524 1.658 0 C4'-C3'-C2' 104.945 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 2.2 tpmt? -40.09 -97.94 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 89.81 172.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 123.779 0.674 . . . . 0.0 111.517 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 79.5 mt-30 -67.26 -42.09 84.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.297 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -145.57 132.36 20.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 26' ' ' LYS . 5.0 t -172.78 165.78 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 80.0 m80 -94.61 -60.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.324 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 35' ' ' GLU . 38.5 tp -123.7 130.95 53.43 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 96.8 p -97.79 -54.1 3.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HB2' HD23 ' A' ' 32' ' ' LEU . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 39' ' ' LYS . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -44.81 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.7 tp -112.32 129.98 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.24 126.54 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -76.24 -42.02 47.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.622 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -50.97 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -140.74 151.24 44.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.8 p -74.84 -11.94 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t -61.77 -49.03 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.816 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.62 22.34 78.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 51.0 tp -62.47 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -176.27 155.19 1.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 75' ' ' ILE . 19.9 tt -136.4 128.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.15 -80.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.97 153.66 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 -66.27 -36.52 83.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.89 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.613 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.89 HE22 ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.5 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.407 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 18.2 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 -72.23 141.97 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -125.83 142.55 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -155.02 92.44 2.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.72 148.7 32.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.751 2.301 . . . . 0.0 112.589 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.37 78.92 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 64.3 ttp -99.36 135.15 41.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.21 132.42 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p -85.59 168.8 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.827 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 133' ' ' PHE . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.45 -41.7 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.73 -41.93 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 130' ' ' ARG . 69.0 m-85 -97.64 142.43 29.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.79 131.39 55.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 134' ' ' LEU . 35.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.141 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.563 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 C4'-C3'-C2' 105.09 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.453 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.847 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 105.392 -3.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.436 " H5'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 C5'--C4' 1.532 2.584 0 C4'-C3'-C2' 105.498 2.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.414 ' C2 ' ' C2 ' ' C' ' 219' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.962 0 C4'-C3'-C2' 105.177 1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.613 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.787 0 C4'-C3'-C2' 105.003 1.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.402 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.704 0 C4'-C3'-C2' 105.21 2.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.402 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.881 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C1'-C2' 108.363 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.466 0 C4'-C3'-C2' 105.443 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.639 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.703 0 O4'-C4'-C3' 107.401 1.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.639 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.408 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 C4'-C3'-C2' 105.194 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.315 1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 C4'-C3'-C2' 105.373 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . 0.421 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.61 1.698 0 C4'-C3'-C2' 105.45 2.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.49 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.447 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.563 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.428 1.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -60.02 -143.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.338 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 147.7 -164.61 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.84 0.713 . . . . 0.0 110.666 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -88.81 -13.55 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -174.58 96.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -142.64 167.02 23.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.716 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.3 p-80 -103.58 -48.63 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' C ' ' A' ' 31' ' ' HIS . 11.2 mp -120.88 129.43 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' ALA . 89.6 p -110.29 -60.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 25' ' ' ALA . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HZ2' ' P ' ' B' ' 205' ' ' ' DA' . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 43' ' ' LEU . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.596 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -55.84 133.58 51.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -169.47 131.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.753 HG11 ' OE1' ' A' ' 58' ' ' GLU . 54.4 t -123.25 131.77 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.7 t0 -75.86 -34.64 60.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -52.91 -43.6 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.674 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -141.95 114.34 8.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.709 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.85 -45.11 94.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p -61.27 -25.86 67.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.753 ' OE1' HG11 ' A' ' 52' ' ' VAL . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.83 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.65 20.5 78.58 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 74' ' ' ALA . 53.5 tp -62.4 145.71 53.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.395 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -38.22 163.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.44 129.19 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.621 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -126.77 -177.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.627 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -148.65 155.18 40.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.648 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 -30.12 -62.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.83 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 88' ' ' ILE . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 85' ' ' ILE . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -84.86 114.54 22.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -144.59 129.32 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 177.06 157.11 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -56.39 147.81 65.74 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.755 2.303 . . . . 0.0 112.46 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.82 -6.11 18.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 78.3 mtm -112.51 131.97 55.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.82 140.93 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p -81.41 162.82 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 ' HZ1' ' A' ' 37' ' ' LYS . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.86 -35.85 82.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.54 -44.44 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -65.15 -41.86 94.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.622 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 96.6 mt -75.76 145.9 40.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 O4'-C4'-C3' 107.609 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.603 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 C1'-O4'-C4' 107.316 -1.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.581 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.678 2.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.637 ' P ' ' HZ2' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.523 1.52 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.628 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.388 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.41 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.569 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.569 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-C2' 108.235 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.627 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.526 1.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.627 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.085 1 O4'-C1'-N19 111.375 4.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.733 0 C4'-C3'-C2' 105.148 1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.467 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.961 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.603 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 40.4 tttp -131.54 130.32 42.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 79.15 162.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 9.7 mm100 65.97 -28.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 27' ' ' ALA . 2.2 mmm180 160.76 100.05 0.0 OUTLIER 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 123.445 0.466 . . . . 0.0 110.555 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 5.4 t -145.78 163.79 33.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.713 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -140.68 -56.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' OE2' ' A' ' 35' ' ' GLU . 89.6 mt -123.55 86.9 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.206 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -55.96 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.548 -179.254 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' HD12 ' A' ' 32' ' ' LEU . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' CE3' ' A' ' 119' ' ' TRP . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -57.06 125.12 21.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' HB2' HH11 ' A' ' 122' ' ' ARG . 54.7 tp -161.08 128.84 4.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' OE1' ' A' ' 58' ' ' GLU . 54.6 t -122.58 129.96 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.478 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.3 t0 -75.14 -35.47 61.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -52.0 -43.39 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.631 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -143.29 111.18 6.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.601 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.17 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p -60.58 -29.09 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.66 ' OE1' HG11 ' A' ' 52' ' ' VAL . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.81 -24.72 11.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 25' ' ' ALA . 55.1 tp -45.28 138.36 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -33.77 158.95 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.478 0.486 . . . . 0.0 110.811 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.511 ' O ' ' O ' ' A' ' 76' ' ' HIS . 21.0 tt -89.93 -6.89 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.673 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 32.44 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.348 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.8 p -137.58 155.48 49.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.412 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 77' ' ' THR . 67.1 tt0 -32.86 -56.11 0.37 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.675 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.63 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 20.8 m120 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.883 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -69.7 124.6 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -142.17 147.33 36.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -179.91 152.27 0.61 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.96 154.84 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.762 2.308 . . . . 0.0 112.146 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.06 27.47 64.24 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 ttm -84.49 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -77.87 156.64 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p -129.3 158.13 39.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.849 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.849 HD11 ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.507 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.7 -39.64 91.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.81 -43.12 97.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.721 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.7 m-85 -128.94 137.68 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.556 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.7 mt -105.62 130.77 53.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' LEU . 15.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.61 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.816 0 C4'-C3'-C2' 104.989 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.092 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.883 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.426 -1.858 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.501 " H4'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.63 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.43 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.753 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.019 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.776 2.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.457 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.445 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.765 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.765 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.39 1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 O4'-C4'-C3' 107.35 1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 C4'-C3'-C2' 105.055 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.725 0 C4'-C3'-C2' 105.305 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.246 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.61 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.679 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.3 tttm -49.83 85.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 162.06 -92.5 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.8 mm-40 -37.86 -58.35 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -154.46 103.39 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.496 HG21 ' HA ' ' A' ' 26' ' ' LYS . 6.6 t -143.45 151.43 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -121.59 -33.26 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.094 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 35' ' ' GLU . 48.1 tp -149.16 95.96 2.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 1.5 p -56.32 -63.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HA ' ' HZ2' ' A' ' 37' ' ' LYS . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.532 ' HB2' HD23 ' A' ' 32' ' ' LEU . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HZ2' ' HA ' ' A' ' 34' ' ' LEU . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 51' ' ' LEU . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.4 90.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 49' ' ' HIS . 41.6 tp -114.93 123.82 50.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.799 HG11 ' OE1' ' A' ' 58' ' ' GLU . 55.0 t -126.7 135.38 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 64.4 t0 -91.65 -16.98 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.675 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -59.71 -44.53 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.45 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -161.09 130.71 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.53 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 m -63.35 -43.56 97.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m -57.31 -34.13 68.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.799 ' OE1' HG11 ' A' ' 52' ' ' VAL . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.33 45.13 89.32 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.1 tt -62.99 -47.61 82.37 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 152.91 -107.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 O-C-N 123.578 0.549 . . . . 0.0 110.424 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.502 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 44.8 mm -128.96 133.35 66.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.957 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 1.4 m-70 -142.9 160.96 39.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.632 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 3.6 p -137.5 150.9 47.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 77' ' ' THR . 36.4 tt0 -32.89 -62.79 0.24 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.595 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.631 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.586 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 -58.76 121.6 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 84.7 mtp180 -136.44 151.57 49.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.434 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 1.8 mt-30 160.71 158.11 0.04 OUTLIER Pre-proline 0 C--O 1.227 -0.099 0 O-C-N 123.556 0.535 . . . . 0.0 110.772 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.67 153.24 59.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.738 2.292 . . . . 0.0 112.176 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.54 66.52 2.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.7 mtm -115.43 133.72 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -81.79 147.02 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p -125.51 155.1 41.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.515 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.819 ' NE1' HD11 ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.437 HH11 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.819 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.43 -42.68 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -41.68 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.468 ' O ' ' O ' ' A' ' 130' ' ' ARG . 74.3 m-85 -101.66 120.47 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.8 mt -110.44 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.654 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 C4'-C3'-C2' 105.339 2.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.574 1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.439 " H3'" HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O4'-C4'-C3' 107.682 2.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.495 H5'' ' HZ3' ' A' ' 37' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -1.98 0 O4'-C4'-C3' 108.14 2.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.533 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.595 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.059 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.426 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.737 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.86 0 O4'-C4'-C3' 107.581 1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.925 0 O4'-C4'-C3' 107.807 2.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C4'-C3' 107.922 2.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.44 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.646 0 C4'-C3'-C2' 105.255 2.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.744 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C1'-C2' 107.905 1.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.744 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 1 O4'-C1'-N19 111.846 5.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.409 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.5 0 C4'-C3'-C2' 105.046 1.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 0 O4'-C4'-C3' 107.42 1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 C4'-C3'-C2' 105.166 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 C4'-C3'-C2' 105.394 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 C4'-C3'-C2' 105.138 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.654 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.395 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' N ' ' HB2' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.901 0.382 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.749 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.5 mptt -56.47 -163.58 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 150.7 -166.17 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 28' ' ' GLN . 1.9 mp0 -68.79 -42.94 76.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.397 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -156.48 101.47 2.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.125 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.458 HG21 ' O ' ' A' ' 25' ' ' ALA . 14.2 t -146.6 162.69 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.9 m-70 -118.01 150.75 38.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 91.8 mt 37.0 95.8 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p -79.17 -54.21 6.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.775 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.667 ' CE ' H5'' ' B' ' 205' ' ' ' DA' . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 39' ' ' LYS . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -55.93 116.77 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -153.05 137.96 17.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' ARG . 39.4 t -128.19 155.19 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.419 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.82 -20.68 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 89.1 mtm180 -58.4 -45.4 88.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.593 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -153.1 127.91 9.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.441 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.3 m -63.29 -43.81 96.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m -58.84 -27.91 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.544 ' OE1' HG11 ' A' ' 52' ' ' VAL . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.65 44.83 79.51 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.4 tt -63.29 -45.29 92.09 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.736 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 154.25 -104.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.503 0.502 . . . . 0.0 110.415 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.575 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.5 mt -132.25 129.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 0.7 OUTLIER -142.23 151.84 42.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.476 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 3.8 p -131.47 167.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.63 -60.16 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.713 ' HB1' ' OP2' ' B' ' 207' ' ' ' DA' . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.692 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.692 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.472 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HG22 ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.918 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.471 HH11 H5'' ' B' ' 204' ' ' ' DA' . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -85.64 117.86 24.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -141.97 139.55 32.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.465 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' O ' ' SD ' ' A' ' 103' ' ' MET . 65.8 mt-30 -155.31 148.3 18.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.12 158.69 51.68 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.831 2.354 . . . . 0.0 112.205 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 19.18 71.1 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 100' ' ' GLN . 99.7 mtp -96.43 129.81 43.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -81.28 132.51 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p -86.21 165.02 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.647 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.509 HD21 ' NH1' ' A' ' 122' ' ' ARG . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 133' ' ' PHE . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.52 -40.88 96.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.37 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.612 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.476 ' O ' ' O ' ' A' ' 130' ' ' ARG . 96.7 m-85 -107.29 117.27 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.452 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.2 mt -110.12 130.69 55.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 134' ' ' LEU . 4.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.623 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.852 0 C4'-C3'-C2' 105.017 1.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.732 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.918 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-N19 104.981 -3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.476 " C2'" ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.811 0 O4'-C4'-C3' 107.859 2.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.713 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.526 1.914 0 O4'-C4'-C3' 107.379 1.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.516 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.714 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.494 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.473 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.831 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.473 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.047 0 O4'-C1'-C2' 108.174 1.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.515 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.445 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.41 0 C4'-C3'-C2' 105.203 2.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.796 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-C2' 108.191 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.796 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.479 4.599 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.41 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.711 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.099 0 C4'-C3'-C2' 104.815 1.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.685 0 C4'-C3'-C2' 105.277 2.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.531 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O4'-C4'-C3' 108.402 2.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.406 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.421 -2.271 0 C4'-C3'-C2' 105.145 1.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.623 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.698 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 83.6 tttt -37.83 162.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.314 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' H ' HG21 ' A' ' 30' ' ' THR . . . 59.55 -168.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.526 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' ALA . 98.2 mm-40 35.28 65.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.261 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 55.06 86.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.148 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.814 HG21 ' H ' ' A' ' 27' ' ' ALA . 4.9 t -135.58 164.74 27.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.823 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -148.78 123.61 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.341 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp 51.75 77.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.251 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.639 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p -59.81 -47.09 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.443 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.713 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.713 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -45.21 97.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 tp -123.23 122.16 37.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' A' ' 58' ' ' GLU . 53.6 t -127.23 135.49 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.515 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.8 t0 -91.51 -18.9 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -58.26 -49.61 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -150.48 128.06 11.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.634 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m -64.35 -44.62 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p -58.78 -29.38 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 52' ' ' VAL . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.841 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD2' ' CE1' ' A' ' 76' ' ' HIS . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.42 73.7 0.6 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 25' ' ' ALA . 5.9 tt -110.87 153.6 25.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -55.4 -140.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.038 0.447 . . . . 0.0 110.853 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 76' ' ' HIS . 96.2 mt -58.84 154.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.68 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 28.5 p-80 -159.91 117.2 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.613 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.3 p -131.42 145.68 51.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 -36.45 -57.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.437 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.841 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.657 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 91' ' ' VAL . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.975 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.642 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -71.77 125.9 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 85.3 mtp180 -142.1 149.45 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 1.2 mt-30 165.77 145.4 0.05 OUTLIER Pre-proline 0 N--CA 1.454 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.58 158.36 56.11 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.769 2.312 . . . . 0.0 112.286 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.57 62.22 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.0 mtp -84.6 137.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -100.79 123.4 44.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p -87.19 164.52 16.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.603 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.787 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.787 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.24 -35.23 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.15 -44.08 97.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.62 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -65.5 -40.88 93.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.8 mt -73.55 141.53 46.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 135' ' ' VAL . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.622 2.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.614 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.779 0 C4'-C3'-C2' 105.06 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.657 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.975 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.436 -2.879 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.446 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.404 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.67 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.657 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.6 2.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.516 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.516 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.19 0 O4'-C1'-C2' 107.995 1.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.659 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.659 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.033 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 0 C4'-C3'-C2' 105.098 1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.842 0 O4'-C4'-C3' 107.854 2.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.614 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' N ' HD22 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' CG2' ' A' ' 30' ' ' THR . 76.5 tttt -56.26 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.91 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ARG . 99.0 mm-40 -80.43 79.06 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 28' ' ' GLN . 85.3 mtp180 43.63 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 26' ' ' LYS . 14.4 t -140.63 131.48 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -85.84 -52.31 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 35' ' ' GLU . 50.1 tp -131.23 109.34 10.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.516 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -64.18 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -178.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HB2' HD23 ' A' ' 32' ' ' LEU . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 119' ' ' TRP . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.96 103.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -116.18 127.67 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.7 t -123.38 132.13 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 66.4 t0 -99.99 -33.88 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -61.85 -50.41 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.524 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 54.6 mtpt -145.14 120.2 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -65.91 -29.83 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t -61.05 -36.91 80.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . 49.31 102.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.24 -65.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.54 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 25' ' ' ALA . . . -175.89 -131.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.8 128.91 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -136.51 154.89 50.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.544 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 3.6 p -132.18 154.71 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 -37.08 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.469 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.644 ' HB1' ' OP2' ' B' ' 207' ' ' ' DA' . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.551 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.674 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.674 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' CZ ' ' OP1' ' B' ' 204' ' ' ' DA' . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -72.32 125.58 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -142.62 133.81 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -154.71 149.16 19.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.64 152.15 69.87 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.829 2.353 . . . . 0.0 112.105 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.11 71.87 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 60.0 ttm -81.7 130.3 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.513 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -76.08 154.79 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p -128.01 157.43 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.833 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.833 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.84 -40.81 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -43.37 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.9 m-85 -130.01 142.22 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.54 130.96 54.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.622 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.447 ' OP1' ' CZ ' ' A' ' 95' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.424 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.887 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-C2' 108.639 2.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.547 " O3'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C1' 1.386 -2.597 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.644 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.597 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.365 -4.269 0 O4'-C4'-C3' 107.618 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.055 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.503 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.372 -3.664 0 O4'-C1'-C2' 108.792 2.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.794 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.446 1.978 0 O4'-C4'-C3' 107.768 2.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.794 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.424 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 107.794 2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.132 ' N ' ' HG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.9 tppt? -32.46 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 88.68 176.49 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.141 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 99.5 mm-40 -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -152.2 109.57 3.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 t -146.35 162.27 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -105.44 -32.08 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD13 ' OE2' ' A' ' 35' ' ' GLU . 94.2 mt -132.97 120.58 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 1.132 ' HG ' ' N ' ' A' ' 25' ' ' ALA . 1.7 t -102.9 -63.99 1.12 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.739 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' OE2' HD13 ' A' ' 32' ' ' LEU . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.739 ' HZ1' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.511 HG22 ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NH2' HG22 ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HE3' ' NE2' ' A' ' 49' ' ' HIS . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -46.65 95.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' HIS . 40.8 tp -118.91 123.69 45.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG11 ' OE1' ' A' ' 58' ' ' GLU . 56.0 t -124.98 134.56 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.1 t0 -91.2 -18.32 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -58.35 -51.08 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.544 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -150.24 133.59 16.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.564 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -67.29 -33.53 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -68.47 -30.44 69.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.662 ' OE1' HG11 ' A' ' 52' ' ' VAL . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.809 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.73 71.73 0.6 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.7 tt -94.83 -69.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.221 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -174.47 -152.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.54 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.5 mt -103.9 120.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.402 ' CE1' ' OP1' ' B' ' 207' ' ' ' DA' . 19.9 m-70 -133.45 178.24 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.653 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -135.62 158.76 43.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.63 -56.61 2.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.879 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.71 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 71.2 m-20 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.879 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.427 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -85.55 137.26 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 82.7 mtp180 -65.5 -39.23 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 10.3 tp60 79.35 53.37 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.64 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 100' ' ' GLN . 56.7 Cg_endo -72.4 151.32 53.59 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.879 2.386 . . . . 0.0 112.263 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.24 19.28 78.58 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.7 mtt -136.46 149.14 48.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p -77.22 166.88 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.58 HD23 HH22 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -61.1 -34.68 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.72 -44.27 96.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.672 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.73 -45.32 90.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.6 mt -116.92 126.67 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.552 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C1'-C2' 108.395 2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.101 0 C4'-C3'-C2' 105.258 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.016 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.637 " H3'" HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.523 1.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.652 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.42 -2.344 0 O4'-C1'-N19 105.453 -2.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.446 " H3'" ' CG ' ' A' ' 84' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.011 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.485 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.71 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.197 0 C4'-C3'-C2' 105.287 2.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.409 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-C2' 108.1 1.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.468 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.134 0 O4'-C4'-C3' 107.586 1.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.468 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 O4'-C4'-C3' 108.032 2.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.48 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.852 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-C2' 108.186 1.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.852 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.379 1 O4'-C1'-N19 112.154 5.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.428 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 218' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.839 0 C4'-C3'-C2' 104.91 1.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C4'-C3'-C2' 105.031 1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.634 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.873 0 C4'-C3'-C2' 105.049 1.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.951 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.88 2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.89 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.786 ' H ' " H5'" ' B' ' 206' ' ' ' DC' . 32.0 ttmt -65.79 136.28 56.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 80.58 -155.41 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.172 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.642 ' NE2' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER 21.83 62.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.746 0.654 . . . . 0.0 110.689 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 60.01 98.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.61 157.49 43.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -124.06 -57.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.36 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -120.7 127.87 52.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p -95.35 -62.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.89 ' OE1' ' HB1' ' A' ' 25' ' ' ALA . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.801 ' NZ ' ' OP1' ' B' ' 205' ' ' ' DA' . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG12 ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -55.94 113.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 tp -149.83 130.18 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.535 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -123.9 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.496 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 54' ' ' ARG . 64.5 t0 -65.0 -38.36 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' ASP . 94.3 mtt-85 -32.43 -78.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -134.56 135.52 42.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -63.64 -33.54 75.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -61.93 -32.89 73.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.797 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.44 48.43 76.01 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 25' ' ' ALA . 2.1 tt -66.0 -47.24 75.15 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.094 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.73 -104.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.451 0.469 . . . . 0.0 110.284 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.55 129.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.43 ' CE1' HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -140.64 158.02 44.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.627 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 2.1 p -132.43 151.06 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.0 mt-10 -34.29 -60.06 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.61 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 74.9 m-20 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.682 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.53 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.423 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.98 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.423 HH11 H5'' ' B' ' 204' ' ' ' DA' . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -62.41 128.36 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 100' ' ' GLN . 85.8 mtp180 -104.0 1.84 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ARG . 56.4 mt-30 -30.03 95.13 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 O-C-N 123.609 0.568 . . . . 0.0 110.763 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' ARG . 60.8 Cg_endo -79.14 158.26 26.66 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.801 2.334 . . . . 0.0 112.488 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.89 8.77 75.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.7 140.76 31.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -79.98 135.78 36.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p -82.48 165.85 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.85 -36.04 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -43.71 98.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -63.38 -43.0 98.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.18 141.46 43.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.621 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.806 0 C4'-C3'-C2' 105.187 1.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.165 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.61 1.657 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.98 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--O5' 1.619 2.569 0 O4'-C4'-C3' 108.107 2.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.786 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.304 0 O4'-C1'-N19 109.499 2.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.574 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.575 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.61 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.166 0 O4'-C4'-C3' 107.49 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-C2' 108.254 1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.694 0 O4'-C4'-C3' 107.367 1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.88 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-C2' 108.258 1.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.722 0 C4'-C3'-C2' 105.336 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.435 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.606 1.265 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.789 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.597 0 O4'-C1'-C2' 108.022 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.789 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.423 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -1.996 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.799 0 C4'-C3'-C2' 105.03 1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.4 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.621 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C4'-C3' 107.402 1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.758 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -47.42 -95.52 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 92.29 -171.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.64 0.587 . . . . 0.0 111.001 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 85.2 mt-30 -93.87 -7.86 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -176.42 106.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -151.41 158.02 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -99.77 -35.39 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.421 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.2 mt -124.15 132.24 53.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.361 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.591 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m -113.42 -72.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.136 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.614 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -50.81 115.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.25 126.77 17.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' ARG . 2.4 t -127.04 133.67 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -86.99 -9.74 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 94.7 mtm-85 -61.86 -44.33 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -149.45 133.7 17.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.83 -46.3 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.677 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 49.84 71.33 0.63 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 73' ' ' LEU . 5.2 tt -90.6 -72.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -175.41 -127.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mm -108.46 126.84 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.487 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.507 ' NE2' HD13 ' A' ' 73' ' ' LEU . 98.5 m-70 -140.45 153.79 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.695 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 29.8 p -134.72 154.51 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.403 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 57.9 mp0 -34.64 -59.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.295 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.607 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.642 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.453 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.929 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.79 139.75 49.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -133.97 138.83 45.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -155.49 109.45 2.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.53 153.07 34.4 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.869 2.379 . . . . 0.0 112.075 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.84 81.57 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.0 ttm -98.92 130.37 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.26 132.32 35.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p -86.35 168.22 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.475 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 126' ' ' LEU . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.863 HH22 HD21 ' A' ' 134' ' ' LEU . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -39.32 -27.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' ARG . 98.7 mttt -63.02 -44.9 94.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.728 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 130' ' ' ARG . 83.5 m-85 -67.13 -39.23 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.863 HD21 HH22 ' A' ' 130' ' ' ARG . 96.0 mt -71.94 140.88 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.534 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.609 1.614 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.079 1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.417 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.241 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.733 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-N19 105.172 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 105.585 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.592 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.607 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 C4'-C3'-C2' 105.408 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.428 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.473 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.241 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.473 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 O4'-C1'-C2' 108.017 1.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C4'-C3' 107.621 2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.411 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.443 0 C4'-C3'-C2' 105.296 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.736 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.304 1.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.736 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.097 1 O4'-C1'-N19 111.213 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.458 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.7 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 0 C4'-C3'-C2' 104.995 1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.798 0 C4'-C3'-C2' 105.192 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C4'-C3'-C2' 105.259 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.618 " C4'" ' HZ2' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.47 " H5'" ' HZ1' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.875 0 O4'-C4'-C3' 107.594 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.534 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.887 2.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' O ' ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' NZ ' " O4'" ' C' ' 222' ' ' ' DT' . 55.3 tttm -55.55 149.22 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.15 166.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 58.11 64.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.617 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 59.06 81.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 1.4 t -133.44 163.1 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -147.3 -12.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.94 149.79 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.571 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.54 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p -137.72 -85.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.421 HG22 ' NE ' ' A' ' 42' ' ' ARG . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -43.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 51' ' ' LEU . 45.5 tp -113.81 127.89 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.3 t -123.23 133.11 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.1 t0 -100.94 -31.41 11.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -63.91 -52.15 61.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 55.0 mtpt -144.85 124.09 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.3 p -67.69 -31.6 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.451 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m -60.07 -36.82 78.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.831 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.39 -7.69 67.36 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 74' ' ' ALA . 57.7 tp -54.86 146.27 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.781 0.325 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -33.36 158.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 76' ' ' HIS . 95.2 mt -61.06 -43.43 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' OP2' ' B' ' 207' ' ' ' DA' . 33.4 m170 55.76 119.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.546 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.7 p -81.34 159.52 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 -36.03 -57.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.911 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.831 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 14.2 m120 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.911 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 91' ' ' VAL . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.94 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.484 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.26 117.82 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -140.51 147.6 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.39 154.66 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.95 152.17 73.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.878 2.386 . . . . 0.0 112.098 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.46 24.36 70.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 31.4 ttm -80.48 128.17 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -73.53 149.13 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p -124.51 158.52 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.869 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.869 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD11 ' NH2' ' A' ' 122' ' ' ARG . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.01 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.63 -40.71 97.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -72.51 140.81 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.78 132.0 54.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 134' ' ' LEU . 28.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C1'-O4'-C4' 106.566 -2.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.94 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.479 ' OP1' ' OE2' ' A' ' 36' ' ' GLU . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.544 ' OP2' ' CD2' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.576 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.475 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C1'-N19 110.168 2.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.435 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.447 2.11 0 O4'-C1'-C2' 109.495 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.266 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.475 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 1 O4'--C1' 1.366 -4.131 0 O4'-C1'-C2' 109.293 2.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.74 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.74 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.843 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.468 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.743 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.504 " O4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.574 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C1'-N19 109.702 2.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.083 ' HZ3' ' CG ' ' A' ' 31' ' ' HIS . 25.8 ttpt -62.06 -40.89 97.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 30' ' ' THR . . . -173.99 143.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.536 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.577 ' O ' " O3'" ' B' ' 206' ' ' ' DC' . 50.8 tt0 -83.9 -40.66 18.3 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.939 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -100.14 10.07 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.646 ' CG2' ' N ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -144.66 177.0 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 -179.259 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.083 ' CG ' ' HZ3' ' A' ' 26' ' ' LYS . 4.1 t-160 -39.13 134.64 1.06 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.718 ' N ' ' HD2' ' A' ' 31' ' ' HIS . 2.8 mt -87.0 -161.69 0.71 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.503 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t -111.64 139.06 47.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' H5'' ' B' ' 205' ' ' ' DA' . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -52.87 134.33 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -169.45 137.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 54' ' ' ARG . 46.8 t -130.87 155.28 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 49.1 t0 -96.47 -22.21 17.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.25 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.638 ' H ' HG12 ' A' ' 52' ' ' VAL . 92.3 mtm-85 -56.05 -46.22 78.98 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.477 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -149.71 129.5 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.464 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -63.27 -44.01 96.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -62.94 -19.77 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' OE1' HG11 ' A' ' 52' ' ' VAL . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 63' ' ' ILE . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.778 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.35 13.25 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 32' ' ' LEU . 56.2 tp -79.28 -81.91 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -171.2 -156.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.845 HG22 ' H ' ' A' ' 76' ' ' HIS . 36.7 mm -59.18 179.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.845 ' H ' HG22 ' A' ' 75' ' ' ILE . 62.4 m170 -106.94 146.17 31.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.48 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.526 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.0 OUTLIER -167.0 93.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.937 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.45 -48.75 2.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.545 ' O ' ' OE1' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.7 m-20 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.703 ' NE2' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.782 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.921 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH1' ' OP1' ' B' ' 204' ' ' ' DA' . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -84.95 132.35 34.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -89.86 151.5 21.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.423 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.504 ' OE1' ' SD ' ' A' ' 103' ' ' MET . 36.8 mm-40 -126.65 63.94 55.66 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.602 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.29 144.06 40.63 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.668 2.245 . . . . 0.0 112.116 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.63 22.75 76.79 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.504 ' SD ' ' OE1' ' A' ' 100' ' ' GLN . 66.8 mtt -122.91 144.48 49.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -83.67 136.04 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p -82.94 168.28 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.37 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.854 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.854 HD11 ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.19 -33.04 25.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.93 -41.22 99.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.428 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.495 ' O ' ' O ' ' A' ' 130' ' ' ARG . 81.1 m-85 -103.02 145.46 29.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.3 mt -104.78 130.19 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 108.587 2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.973 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.979 0 C4'-C3'-C2' 105.155 1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.559 ' OP1' ' NH1' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.883 0 C4'-C3'-C2' 105.416 2.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.921 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 1 O4'--C4' 1.388 -5.257 0 O4'-C1'-N19 104.863 -3.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.577 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 1 C5'--C4' 1.547 4.527 0 O5'-C5'-C4' 114.17 2.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.438 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.433 -1.206 0 O4'-C4'-C3' 108.181 2.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.537 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 O5'-C5'-C4' 113.157 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.117 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.049 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.93 2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.005 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.452 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.608 1.463 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.721 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C1'-C2' 108.05 1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.721 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.111 2.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.782 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 0 O4'-C4'-C3' 107.652 2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 C4'-C3'-C2' 105.042 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . 0.439 " O4'" ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.565 " O4'" HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.185 1.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C4'-C3' 108.011 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.85 2.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.729 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 87.9 tttt -59.3 77.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 156.71 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.6 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.9 mm-40 -35.05 -37.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.237 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HE ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 ptt180 177.38 101.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.188 0.518 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 26' ' ' LYS . 5.0 t -142.25 154.93 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.74 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -129.78 -39.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.22 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' SER . 95.6 mt -140.46 72.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.076 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -38.91 -64.21 0.46 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.715 -179.054 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 43' ' ' LEU . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 89.2 m-70 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 -39.13 96.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . 42.5 tp -118.66 119.54 34.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.69 HG11 ' OE1' ' A' ' 58' ' ' GLU . 49.8 t -128.21 137.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -95.52 -6.74 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.575 ' H ' HG12 ' A' ' 52' ' ' VAL . 92.0 mtm-85 -65.59 -41.45 92.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -166.88 130.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.49 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 m -62.08 -42.34 99.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p -58.51 -32.41 68.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.69 ' OE1' HG11 ' A' ' 52' ' ' VAL . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.82 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.34 87.06 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.6 128.83 37.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.451 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -64.55 142.65 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 68' ' ' TYR . 46.1 pt -128.64 164.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.539 ' CE1' ' OP1' ' B' ' 207' ' ' ' DA' . 50.0 m80 -129.46 -55.92 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -159.04 164.86 35.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 8.6 tm-20 -56.04 -40.45 73.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' H ' HG23 ' A' ' 77' ' ' THR . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.608 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.835 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.659 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.984 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.452 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -68.39 124.93 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 141.55 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.63 153.98 0.83 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.637 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.98 155.38 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.883 2.389 . . . . 0.0 112.194 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.85 23.83 59.07 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.0 ttp -81.28 132.61 35.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -83.83 153.83 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -123.26 131.81 53.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.682 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.682 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 133' ' ' PHE . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -40.28 91.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.97 -41.58 99.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.1 m-85 -100.7 119.52 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.67 131.18 55.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.606 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.762 0 C4'-C3'-C2' 105.009 1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.465 1.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.65 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.049 0 O4'-C4'-C3' 107.983 2.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.984 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.451 -1.991 0 O4'-C4'-C3' 108.422 2.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.69 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C4' 1.425 -1.911 0 C4'-C3'-C2' 105.137 1.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.539 ' OP1' ' CE1' ' A' ' 76' ' ' HIS . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.597 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.613 0 C4'-C3'-C2' 105.562 2.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C4'-C3' 108.021 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.048 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 O4'-C4'-C3' 107.801 2.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 C4'-C3'-C2' 105.525 2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.744 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.752 0 C4'-C3'-C2' 104.933 1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.744 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.094 1 O4'-C1'-N19 111.936 5.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.659 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.211 0 O4'-C4'-C3' 107.347 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.565 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.763 0 C4'-C3'-C2' 104.949 1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.711 0 C4'-C3'-C2' 105.345 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 C4'-C3'-C2' 105.16 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB3' " H5'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 2.9 tptm -125.55 125.63 43.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 77.49 9.87 2.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -130.33 58.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.259 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 58.18 82.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.216 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 25' ' ' ALA . 5.0 t -141.3 155.38 45.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -118.27 -50.27 2.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.078 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 35' ' ' GLU . 46.9 tp -124.79 95.74 4.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.987 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p -62.08 -53.81 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.326 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB2' HD23 ' A' ' 32' ' ' LEU . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB1' ' A' ' 25' ' ' ALA . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' NZ ' ' P ' ' B' ' 205' ' ' ' DA' . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.457 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.33 116.52 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -151.82 133.83 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 54' ' ' ARG . 50.9 t -126.26 134.62 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.479 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -83.2 -21.01 33.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' H ' HG12 ' A' ' 52' ' ' VAL . 88.6 mtm180 -62.8 -43.3 99.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -152.06 119.39 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -63.83 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -55.26 -33.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.166 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.52 32.41 81.58 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.722 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 17.1 tp -59.77 -59.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.692 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 156.1 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.643 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 75' ' ' ILE . 20.4 tt -83.47 117.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.428 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' ND1' ' OP1' ' B' ' 207' ' ' ' DA' . 97.5 m-70 -134.84 139.51 45.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -85.15 169.53 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.452 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.89 -46.46 74.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.638 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.638 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.467 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.811 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 78.5 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 -71.77 124.25 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' GLN . 72.7 mtp180 -128.38 3.45 5.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.2 OUTLIER -36.87 155.45 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.98 157.38 60.15 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.873 2.382 . . . . 0.0 112.159 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.24 35.13 15.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttm -82.54 120.11 25.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -81.73 144.51 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m -114.66 129.33 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.3 -40.94 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.33 -41.81 98.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -100.67 120.27 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.0 mt -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.6 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.426 -1.824 0 C4'-C3'-C2' 105.265 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 107.275 1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.811 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.621 " H5'" ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.024 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.516 ' OP1' ' ND1' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C4'-C3' 107.481 1.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.564 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.405 H2'' ' C8 ' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.405 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C4'-C3' 107.393 1.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.45 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.749 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.45 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 108.217 2.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-C2' 108.704 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.979 2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.425 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.318 0 C4'-C3'-C2' 105.178 1.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.856 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.748 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.856 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 1 O4'-C1'-N19 111.652 4.815 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.467 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C4'-C3'-C2' 104.934 1.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 C4'-C3'-C2' 104.951 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.782 0 C4'-C3'-C2' 105.27 2.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.978 0 C4'-C3'-C2' 105.497 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.948 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.083 0 C4'-C3'-C2' 105.205 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.6 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C4'-C3' 108.081 2.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.737 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 87.6 tttt -70.46 144.89 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 87.37 -49.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.436 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -79.23 67.57 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.062 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 63.59 85.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.991 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -136.34 160.4 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.698 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -132.41 -42.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.384 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -138.73 90.34 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.167 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p -61.96 -50.27 72.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' NZ ' ' P ' ' B' ' 205' ' ' ' DA' . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.477 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.635 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 51' ' ' LEU . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -44.36 91.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' HIS . 44.7 tp -115.23 124.02 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.4 t -126.03 129.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.583 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' O ' ' O ' ' A' ' 54' ' ' ARG . 64.1 t0 -72.91 -41.18 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.705 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 53' ' ' ASP . 99.8 mtt180 -44.58 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.637 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -112.3 142.49 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.2 p -77.44 -21.53 52.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.514 ' HG ' ' CD ' ' A' ' 78' ' ' GLU . 38.8 t -59.98 -42.4 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.95 -46.67 1.57 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.599 ' CD2' HG23 ' A' ' 75' ' ' ILE . 9.4 tt -49.14 135.1 16.99 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.729 0.3 . . . . 0.0 110.891 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.28 126.76 40.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' CD2' ' A' ' 73' ' ' LEU . 1.1 pt -148.78 25.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.487 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.507 ' C ' HG22 ' A' ' 77' ' ' THR . 85.5 t60 -73.59 89.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.325 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.599 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.1 OUTLIER -158.99 0.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' CD ' ' HG ' ' A' ' 57' ' ' SER . 81.6 tt0 60.1 -69.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.096 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 77' ' ' THR . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' NH1' ' OP2' ' C' ' 215' ' ' ' DT' . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.601 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' NE2' ' C8 ' ' B' ' 207' ' ' ' DA' . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -53.23 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 43.06 85.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -137.2 154.12 75.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.63 156.77 62.78 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.872 2.382 . . . . 0.0 112.192 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.66 2.91 62.88 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 66.8 mtt -99.01 127.95 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -83.64 137.34 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p -79.46 159.7 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.424 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.862 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.862 HD11 ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD11 ' NH2' ' A' ' 122' ' ' ARG . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 133' ' ' PHE . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.58 -39.89 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.88 -41.88 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.9 m-85 -98.45 143.13 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.6 mt -109.77 130.85 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.55 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.928 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.631 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 108.126 2.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.678 ' P ' ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.667 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.637 " C5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.091 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.524 ' C8 ' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.601 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.614 2.084 0 O4'-C4'-C3' 107.339 1.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.483 H2'' ' C8 ' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.037 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-C2' 108.146 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.401 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.221 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.401 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C4'-C3' 108.172 2.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.954 2.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.572 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.58 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.781 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.744 0 C4'-C3'-C2' 105.099 1.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.781 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.606 1 O4'-C1'-N19 112.333 5.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 C4'-C3'-C2' 104.965 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.959 0 C4'-C3'-C2' 105.037 1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.73 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.944 0 C4'-C3'-C2' 104.946 1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.55 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.686 2.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' N ' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.686 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 57.9 tttt -27.05 143.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 29' ' ' ARG . . . 58.58 161.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 66.73 -33.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.5 mmt85 168.47 102.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 HG21 " H4'" ' C' ' 222' ' ' ' DT' . 5.2 t -149.9 166.35 29.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -123.97 -78.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' OG ' ' A' ' 33' ' ' SER . 5.9 tp -106.79 -29.86 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p 76.97 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.752 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 43' ' ' LEU . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -48.28 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -112.94 127.0 56.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.4 t -123.56 133.32 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.571 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 66.9 t0 -103.33 -33.7 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -63.3 -47.03 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 54.9 mtpt -143.91 113.22 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.8 m -61.96 -41.76 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m -55.19 -34.22 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.26 95.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -124.04 -73.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -147.87 -111.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.3 mm -113.56 144.6 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.601 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -90.94 127.63 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.86 ' OG1' ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -139.31 172.94 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 -96.73 -60.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.58 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.86 ' HB3' ' OG1' ' A' ' 77' ' ' THR . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.651 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.404 ' OE1' ' OP2' ' B' ' 207' ' ' ' DA' . 36.8 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.952 ' O ' HG22 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.565 ' HE ' H5'' ' B' ' 204' ' ' ' DA' . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -75.89 131.35 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -141.48 144.37 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.44 130.64 1.93 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.39 156.75 50.19 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.844 2.362 . . . . 0.0 112.107 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.85 17.91 69.07 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 98.6 mmm -98.17 136.78 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.17 128.18 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p -87.52 166.96 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.864 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.864 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.8 -35.07 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -63.55 -42.85 98.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.58 145.79 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.514 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.627 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.91 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.686 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.858 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.822 2.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.567 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C1' 1.386 -2.632 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.462 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.786 2.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.651 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.402 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C1'-C2' 108.574 2.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.518 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.518 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.358 -4.752 0 O4'-C4'-C3' 107.569 1.969 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . 0.437 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.378 -3.196 0 O4'-C1'-C2' 108.536 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.769 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.849 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.769 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.443 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.393 -2.099 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.811 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.406 " H4'" HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.795 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.39 -2.273 0 O4'-C1'-N19 109.456 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.603 ' N ' ' O2 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' O ' ' C ' ' A' ' 27' ' ' ALA . 26.2 ttmt -58.94 134.38 56.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' H ' " H4'" ' B' ' 206' ' ' ' DC' . . . 18.87 97.31 0.0 OUTLIER 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' ALA . 77.4 mt-30 -24.94 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.407 0.442 . . . . 0.0 110.602 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' ALA . 99.7 mtt180 -149.32 125.52 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.586 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 9.3 t -168.74 176.96 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -123.15 -35.66 2.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.134 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 32' ' ' LEU . 53.3 tp -138.41 90.76 2.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.498 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 1.5 m -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.37 116.24 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -153.3 140.91 19.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 54' ' ' ARG . 41.7 t -129.05 155.91 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.84 -21.36 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.804 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.654 ' H ' HG12 ' A' ' 52' ' ' VAL . 91.1 mtm-85 -57.82 -45.46 86.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -154.45 128.09 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -62.97 -43.77 97.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.583 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.449 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t -57.48 -28.54 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.565 ' OE1' HG11 ' A' ' 52' ' ' VAL . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.6 91.39 0.01 OUTLIER Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -113.56 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.14 179.289 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -173.45 -128.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.83 129.0 65.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.458 ' NE2' HD13 ' A' ' 73' ' ' LEU . 97.5 m-70 -142.04 156.92 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.4 p -133.85 162.27 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -43.37 -56.7 3.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.132 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.79 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.697 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.79 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.607 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.841 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.597 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.959 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.406 ' NH1' H5'' ' B' ' 204' ' ' ' DA' . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.3 m80 -47.86 -56.77 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.8 mtp180 33.58 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' HIS . 78.8 mt-30 -70.43 149.72 95.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.95 154.31 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.801 2.334 . . . . 0.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.84 75.05 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.3 ttm -84.37 126.23 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.2 151.29 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p -127.7 152.99 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -62.57 -35.37 79.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.51 -43.84 96.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.78 -45.15 91.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.3 mt -113.86 125.5 54.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.69 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.562 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C1'-O4'-C4' 107.382 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 108.029 2.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.41 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.959 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.618 " H4'" ' H ' ' A' ' 27' ' ' ALA . . . . . . . . 0 P--O5' 1.614 2.126 0 C4'-C3'-C2' 105.051 1.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.561 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.697 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 105.14 1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.063 0 C4'-C3'-C2' 105.121 1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.575 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.248 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.651 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.934 2.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.188 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.166 0 C4'-C3'-C2' 104.891 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.555 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.597 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 C4'-C3'-C2' 105.242 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . 0.491 ' O2 ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.613 1.966 0 C4'-C3'-C2' 105.072 1.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 C4'-C3'-C2' 105.186 1.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.537 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.474 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.811 0 C4'-C3'-C2' 104.956 1.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.562 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.109 ' N ' ' HG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -65.25 -154.34 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.066 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 150.14 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.346 0.438 0 O-C-N 124.367 1.042 . . . . 0.0 110.869 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -90.86 -11.31 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.054 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -176.63 99.56 0.06 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -142.69 173.19 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.692 ' C ' HD22 ' A' ' 32' ' ' LEU . 74.1 m80 -114.22 -48.98 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 ' C ' ' A' ' 31' ' ' HIS . 4.5 mm? -115.95 133.09 56.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.618 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 1.109 ' HG ' ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -111.83 -65.84 1.14 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.985 179.568 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.639 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HD3' ' OP1' ' B' ' 205' ' ' ' DA' . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.17 99.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 122' ' ' ARG . 79.6 mt -113.48 134.59 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 55' ' ' LYS . 75.5 t -124.98 134.67 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.0 t0 -95.21 -29.32 14.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.432 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.99 -45.71 92.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.647 ' H ' HG12 ' A' ' 52' ' ' VAL . 78.2 tttt -162.78 134.61 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -66.77 -26.19 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.466 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t -61.19 -40.7 94.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.587 ' OE1' HG11 ' A' ' 52' ' ' VAL . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.82 45.01 91.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.2 tt -63.05 -46.32 88.04 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.29 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.432 0.457 . . . . 0.0 110.52 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.0 mt -134.26 130.91 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.704 ' CE1' HE22 ' A' ' 84' ' ' GLN . 1.1 m-70 -140.34 166.16 25.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.608 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -144.26 150.42 37.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 -30.86 -62.45 0.17 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.471 0.482 . . . . 0.0 111.057 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' H ' HG23 ' A' ' 77' ' ' THR . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.601 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 24.7 m120 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.704 HE22 ' CE1' ' A' ' 76' ' ' HIS . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.935 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.466 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.564 ' NE ' ' OP1' ' B' ' 204' ' ' ' DA' . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -74.0 127.03 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 148.79 38.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.412 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 169.96 142.47 0.08 OUTLIER Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.71 160.22 48.69 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.782 2.321 . . . . 0.0 112.199 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.55 2.27 60.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 67.1 mtt -98.01 128.89 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.532 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -87.77 133.69 33.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p -85.4 165.24 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.858 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.858 HD11 ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.99 -39.25 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.64 -44.14 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.7 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.5 m-85 -134.73 144.0 47.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.62 141.47 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.842 2.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.65 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.32 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . 0.564 ' OP1' ' NE ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' ' DA' . . . . . 0.935 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -2.958 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . 0.682 ' P ' HE21 ' A' ' 84' ' ' GLN . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ' DA' . . . . . 0.454 ' N6 ' ' C4 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.601 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.141 0 C4'-C3'-C2' 105.114 1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ' DT' . . . . . 0.404 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.669 2.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ' DT' . . . . . 0.556 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.751 0 O4'-C4'-C3' 107.659 2.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ' DT' . . . . . 0.556 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O4'-C1'-C2' 108.326 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.976 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.549 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.491 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 216' ' ' ' DA' . . . . . 0.657 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 217' ' ' ' DT' . . . . . 0.657 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.778 1 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 218' ' ' ' DT' . . . . . 0.423 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.199 0 O4'-C4'-C3' 107.564 1.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.507 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 0 C4'-C3'-C2' 105.248 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 222' ' ' ' DT' . . . . . 0.517 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.497 1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.559 " O4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.923 0 C4'-C3'-C2' 105.122 1.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 224' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.888 2.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.583 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.721 0.296 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.827 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.023 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.827 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 1.023 HE22 ' HB1' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.539 ' CG ' HE21 ' A' ' 94' ' ' GLN . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' CG ' ' A' ' 90' ' ' ARG . 48.2 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.5 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.758 0.313 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' CG ' ' OG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.78 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.78 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.559 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.742 0.306 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' SER . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 71' ' ' GLU . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.629 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB2' ' CD ' ' A' ' 122' ' ' ARG . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.413 ' OG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.036 0.446 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 43' ' ' LEU . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.782 0.325 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.855 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH2' ' OG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.855 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' MET . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' SER . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.0 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.851 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.851 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 96.8 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.707 0.289 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 39' ' ' LYS . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.816 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.89 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.89 HE22 ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.5 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HG2' HE21 ' A' ' 94' ' ' GLN . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 47.6 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.714 0.292 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.827 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 36' ' ' GLU . 89.6 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 43' ' ' LEU . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.596 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.404 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 65.5 m80 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.855 0.36 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.83 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.581 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.83 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 88' ' ' ILE . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 85' ' ' ILE . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG2' HE21 ' A' ' 94' ' ' GLN . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.436 HE21 ' HG2' ' A' ' 90' ' ' ARG . 46.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.616 0.246 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HE3' ' C ' ' A' ' 33' ' ' SER . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.466 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' CE3' ' A' ' 119' ' ' TRP . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.916 0.389 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 57' ' ' SER . 67.1 tt0 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.677 ' NH2' HE22 ' A' ' 94' ' ' GLN . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.677 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.9 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.762 0.315 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.849 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.849 HD11 ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.575 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 1.5 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.391 0.139 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.57 0.224 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.631 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.631 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.586 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.777 0.322 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.819 ' NE1' HD11 ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.437 HH11 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.819 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.653 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 39' ' ' LYS . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.31 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.664 0.268 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.692 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.692 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.472 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HG22 ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.8 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.647 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.509 HD21 ' NH1' ' A' ' 122' ' ' ARG . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.639 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.713 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.713 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.704 0.288 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.841 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.602 0.239 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.922 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.841 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.922 HE22 ' HB1' ' A' ' 80' ' ' ALA . 2.1 mp0 -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 91' ' ' VAL . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.642 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.4 m80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.787 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.787 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.516 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.34 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' SER . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HE3' ' C ' ' A' ' 33' ' ' SER . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 119' ' ' TRP . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.811 0.338 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.469 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.551 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.674 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.674 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.833 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.833 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.7 t . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.861 0.362 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HZ1' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.511 HG22 ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NH2' HG22 ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HE3' ' NE2' ' A' ' 49' ' ' HIS . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.809 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.879 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.879 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.3 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.752 0.311 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.58 HD23 HH22 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.684 0.278 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' SER . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' CE ' ' HA ' ' A' ' 34' ' ' LEU . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.449 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG12 ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.403 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 35.7 m80 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.797 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.725 0.298 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.682 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.53 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.591 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.614 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 57.9 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.642 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.929 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.787 ' NH2' HE22 ' A' ' 94' ' ' GLN . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.787 HE22 ' NH2' ' A' ' 90' ' ' ARG . 46.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.8 m80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.475 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 126' ' ' LEU . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.54 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.421 HG22 ' NE ' ' A' ' 42' ' ' ARG . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.451 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.831 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.451 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.767 0.317 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.911 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.831 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.911 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 91' ' ' VAL . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.484 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.869 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.869 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD11 ' NH2' ' A' ' 122' ' ' ARG . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 49' ' ' HIS . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.4 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 50.1 m80 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.646 0.26 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 63' ' ' ILE . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.778 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.704 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.704 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 92' ' ' TYR . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.619 0.247 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.854 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.854 HD11 ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.715 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' C ' ' A' ' 33' ' ' SER . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 43' ' ' LEU . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 67.1 m80 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.82 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 8.6 tm-20 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.608 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.835 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HG2' HE21 ' A' ' 94' ' ' GLN . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.452 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.419 HE21 ' HG2' ' A' ' 90' ' ' ARG . 34.9 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.1 m80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.682 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.682 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HD3' HG23 ' A' ' 88' ' ' ILE . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.457 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.53 0.205 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.638 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.638 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 88' ' ' ILE . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.7 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.767 0.317 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 88' ' ' ILE . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.477 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.635 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.514 ' HG ' ' CD ' ' A' ' 78' ' ' GLU . 38.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' CD ' ' HG ' ' A' ' 57' ' ' SER . 81.6 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.9 0.381 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.756 ' NH2' HE22 ' A' ' 94' ' ' GLN . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.756 HE22 ' NH2' ' A' ' 90' ' ' ARG . 72.8 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.424 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.862 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.862 HD11 ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD11 ' NH2' ' A' ' 122' ' ' ARG . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' SER . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.567 ' HZ1' ' CB ' ' A' ' 33' ' ' SER . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 43' ' ' LEU . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.952 ' O ' HG22 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.864 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.864 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.498 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 1.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' C ' ' A' ' 33' ' ' SER . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.449 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.66 0.267 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.837 0.351 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.79 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.79 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.607 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.841 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 88' ' ' ILE . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.834 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.623 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.639 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.639 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.419 ' HA ' HD22 ' A' ' 83' ' ' ASN . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 80' ' ' ALA . 65.8 m-20 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.757 HH21 HE22 ' A' ' 94' ' ' GLN . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.466 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.757 HE22 HH21 ' A' ' 90' ' ' ARG . 73.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 74.5 m80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.858 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.858 HD11 ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 13.0 mptt -36.99 -91.96 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 86.4 -176.2 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.248 0.343 . . . . 0.0 111.134 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.534 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 75.5 mt-30 -75.46 -40.73 57.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -150.72 115.85 5.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -154.67 158.37 39.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.628 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 86.3 t60 -85.16 -59.94 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' LEU . 37.8 tp -124.84 129.67 50.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.583 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 54.7 p -95.61 -57.59 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.363 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.644 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 59.6 tp -38.84 -40.46 0.63 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.117 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' A' ' 32' ' ' LEU . 22.8 tt0 -65.65 -44.6 85.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.842 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HB2' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.96 -41.54 95.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.453 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 39.4 mttt -57.12 -47.01 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.13 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.9 -43.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.411 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -61.08 -39.78 91.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.278 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.27 -48.48 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.03 -30.62 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.247 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.3 mtm-85 -64.74 -18.07 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.2 mt -94.75 -37.72 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.72 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.61 -41.71 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.99 -14.39 61.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.425 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -129.02 29.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.8 pttt -70.97 -29.3 65.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -68.49 -40.07 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.673 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.32 132.57 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.696 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -173.26 134.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG11 ' OE1' ' A' ' 58' ' ' GLU . 55.5 t -123.62 132.67 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.8 t0 -74.67 -34.57 62.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.82 -44.37 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -141.35 111.85 6.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.639 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.57 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.2 t -58.79 -28.55 66.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HG11 ' A' ' 52' ' ' VAL . 85.2 tt0 -44.17 -26.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.705 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -79.14 -67.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 69.0 m-85 -56.81 -29.65 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.06 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.53 -35.68 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 mm -62.87 -47.09 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.827 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.09 -16.33 64.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.585 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.602 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.51 -19.49 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.61 -16.22 80.46 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 42.5 t80 -113.65 -7.03 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.481 -0.423 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.54 3.9 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.46 -46.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.2 mm-40 -85.44 -21.31 28.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.08 44.54 88.39 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.728 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.8 tt -62.08 -46.5 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.32 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.475 0.484 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' C ' ' HD1' ' A' ' 76' ' ' HIS . 97.3 mt -136.4 129.78 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.535 ' CE1' ' OP2' ' B' ' 207' ' ' ' DA' . 0.2 OUTLIER -140.86 159.13 42.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.712 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.3 p -131.83 150.91 52.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.381 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.8 mt-10 -34.64 -61.41 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.045 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 10.5 t -53.43 -51.1 63.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.111 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.023 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.25 -28.0 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.41 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.827 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 m -72.25 -10.17 59.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.348 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.6 -23.69 12.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.631 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 73.8 m-20 -85.54 -46.37 10.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 1.023 HE22 ' HB1' ' A' ' 80' ' ' ALA . 1.6 mp0 -58.16 -60.86 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.784 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.6 mt -55.77 -39.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.202 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -62.07 -45.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 t -58.22 -44.43 88.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.403 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -55.96 -29.87 27.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.67 -52.08 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.539 ' CG ' HE21 ' A' ' 94' ' ' GLN . 28.3 ttm180 -48.98 -42.1 36.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.3 m -68.5 -39.25 80.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.07 0.462 . . . . 0.0 110.676 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.79 -41.68 97.87 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -72.94 -36.83 67.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' CG ' ' A' ' 90' ' ' ARG . 48.2 mt-30 -65.11 -53.83 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -70.35 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.9 tp -79.99 -35.62 37.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.36 -28.06 29.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 100' ' ' GLN . 17.5 m80 -56.05 -60.21 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.6 mtp180 34.74 28.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 98' ' ' HIS . 16.0 mt-30 -91.82 154.86 43.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.22 157.1 62.72 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.843 2.362 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.54 4.02 17.99 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.9 mtm -122.56 148.05 45.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -105.24 147.26 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.4 p -71.17 138.58 49.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 109' ' ' GLU . 2.9 p -138.93 152.22 69.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.73 -37.88 3.56 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.065 1.843 . . . . 0.0 112.363 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -67.67 -49.39 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' CG ' ' OG1' ' A' ' 106' ' ' THR . 9.9 pt-20 -63.47 -34.18 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.242 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -66.04 -47.16 75.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.71 -51.22 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -53.99 -43.48 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.383 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.67 -44.53 93.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.503 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -62.43 -46.26 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.33 -41.93 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.49 -40.89 98.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.562 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.41 -45.58 93.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.68 -45.73 91.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.78 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.5 t-105 -64.57 -40.03 94.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.1 -37.49 85.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.8 91.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.561 ' NH1' ' OE1' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -60.18 -42.7 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.697 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.78 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.1 mt -62.43 -39.99 95.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.437 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -67.86 -40.39 83.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.561 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 80.5 tt0 -59.77 -41.7 91.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -67.73 -35.32 78.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.88 -42.42 90.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.79 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.3 -37.19 72.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.52 -40.63 92.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.78 -42.12 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.514 ' O ' ' O ' ' A' ' 134' ' ' LEU . 48.0 mt-10 -62.75 -34.63 77.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.452 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.42 -43.45 97.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.42 -44.95 93.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.0 mt -111.12 124.13 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C4'-C3' 107.608 2.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.56 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.659 0 C4'-C3'-C2' 104.839 1.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.741 0 C4'-C3'-C2' 105.144 1.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.468 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.664 2.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.905 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.404 -3.83 1 O4'-C1'-N19 104.353 -4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.463 " C5'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 C5'--C4' 1.528 2.079 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.551 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.498 1.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.631 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.233 0 O4'-C4'-C3' 107.41 1.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.437 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.692 2.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.517 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.897 0 O4'-C4'-C3' 107.312 1.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.517 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.218 1.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 108.077 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.435 0 C4'-C3'-C2' 105.448 2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.691 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 C4'-C3'-C2' 104.87 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.691 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.451 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.799 0 O4'-C4'-C3' 107.831 2.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.84 0 C4'-C3'-C2' 105.019 1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.853 0 C4'-C3'-C2' 105.213 2.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.534 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.01 0 O4'-C4'-C3' 108.19 2.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.419 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 P--O5' 1.613 1.953 0 C4'-C3'-C2' 105.224 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.834 2.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -44.94 -168.08 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 123.852 0.72 . . . . 0.0 109.49 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 141.55 -128.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.996 0.81 . . . . 0.0 110.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 42.2 mt-30 -120.31 4.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 72.0 ttt-85 166.48 100.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.855 0.722 . . . . 0.0 110.576 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.999 HG21 ' O ' ' A' ' 25' ' ' ALA . 5.0 t -155.84 171.66 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.462 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.5 m-70 -126.79 142.31 51.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 31' ' ' HIS . 41.4 tp 45.13 100.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.559 ' OG ' ' NZ ' ' A' ' 37' ' ' LYS . 6.3 p -89.42 -50.77 5.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.618 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.37 -40.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.565 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.87 -44.25 85.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 47.1 mt-10 -64.99 -41.41 95.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' NZ ' ' OG ' ' A' ' 33' ' ' SER . 14.6 mtmt -56.93 -47.01 81.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' HH11 ' A' ' 42' ' ' ARG . 94.7 mttt -60.82 -40.36 92.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.97 -48.31 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.01 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.89 -30.97 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.2 mtm-85 -64.64 -18.24 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.602 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 71' ' ' GLU . 92.7 mt -94.53 -37.5 11.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.709 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.629 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.9 t -63.12 -46.14 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.51 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.405 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.8 -14.42 61.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -128.83 29.19 5.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB2' ' CD ' ' A' ' 122' ' ' ARG . 63.8 pttt -70.24 -29.73 66.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -102.71 98.2 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -150.52 177.55 9.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -118.71 138.22 52.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 58' ' ' GLU . 38.6 t -120.91 130.27 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 52' ' ' VAL . 77.9 m-20 -152.57 -35.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 58' ' ' GLU . 95.9 mtm-85 -62.34 -45.75 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.02 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 99.0 mttt -146.59 158.81 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.706 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.7 m -62.98 -45.58 91.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.413 ' OG ' ' NH2' ' A' ' 82' ' ' ARG . 68.8 m -91.8 13.08 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.637 ' HB3' HG13 ' A' ' 52' ' ' VAL . 86.3 tt0 -42.38 -25.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -78.97 -66.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 41.5 m-85 -57.07 -29.81 63.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.274 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.36 64.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.27 -35.67 14.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.09 -46.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 -16.47 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.413 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -82.2 -46.22 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.29 -19.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.59 -15.8 80.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 25.1 t80 -113.9 -7.09 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.426 -0.455 . . . . 0.0 110.525 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.4 3.61 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.32 -46.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 43' ' ' LEU . 69.8 mm-40 -84.98 -21.46 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.42 49.71 67.22 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 1.2 tt -68.3 -45.95 71.63 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.747 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 154.27 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.325 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.0 mt -136.91 116.27 15.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -121.85 157.78 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.44 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.6 p -132.63 162.49 31.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.85 -60.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 t -55.76 -50.76 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.855 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.89 -27.99 63.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.347 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 14.2 t -72.2 -10.13 59.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH2' ' OG ' ' A' ' 57' ' ' SER . 95.2 mtm-85 -105.5 -23.74 12.75 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.477 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.1 m-20 -85.47 -46.12 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.972 0.415 . . . . 0.0 110.743 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.855 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -58.1 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.821 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -55.95 -40.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.488 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.9 OUTLIER -62.13 -45.31 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.818 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 t -58.06 -44.02 87.26 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.467 -178.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.02 -30.33 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.53 -50.93 48.3 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.983 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -50.14 -41.9 49.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.888 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 4.2 t -68.59 -40.52 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.568 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.6 t80 -61.94 -42.77 99.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.423 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.13 -36.92 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -65.01 -53.6 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -70.26 -11.56 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.0 tp -78.96 -35.95 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.077 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.09 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -79.03 125.5 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -145.83 106.29 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.509 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -147.7 148.78 31.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.76 161.51 45.82 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.837 2.358 . . . . 0.0 112.112 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.17 -4.0 40.98 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.0 mtm -108.19 132.51 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.71 145.73 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.1 p -79.24 163.09 25.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.47 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -150.35 155.0 36.65 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.07 -37.64 3.35 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.679 2.253 . . . . 0.0 112.691 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.83 -49.1 64.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.691 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 18.2 pt-20 -63.39 -34.73 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.57 -46.9 77.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.673 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.1 -50.61 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.58 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.75 -42.98 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.16 -44.45 94.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -45.64 92.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -41.79 92.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.281 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.68 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.55 -45.39 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -62.8 -45.68 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.851 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.52 -40.28 95.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.85 -37.67 85.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.76 91.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.23 -45.08 92.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.015 179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.851 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.8 mt -60.78 -40.21 91.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.07 -40.65 87.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.838 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.72 -41.88 91.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.32 -35.89 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.54 -42.27 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.42 -37.87 73.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -73.12 -35.13 66.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -62.0 -40.2 94.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.501 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.3 mt-10 -52.9 -25.25 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.75 -43.73 95.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.557 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.83 -45.63 91.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 131' ' ' GLU . 87.4 mt -113.6 125.54 54.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 C4'-C3'-C2' 105.267 2.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.816 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.504 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C4'-C3' 107.606 2.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.888 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.525 1.689 0 O4'-C4'-C3' 107.77 2.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.639 ' OP1' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.612 1.947 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.477 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.643 2.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.571 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.056 0 C4'-C3'-C2' 105.128 1.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.876 0 O4'-C4'-C3' 107.636 2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.481 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.497 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.836 0 O4'-C4'-C3' 107.386 1.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.497 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.087 0 O4'-C1'-C2' 108.215 1.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C4'-C3' 107.718 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.478 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.663 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.845 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-C2' 108.144 1.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.845 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.408 1 O4'-C1'-N19 111.376 4.47 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C4'-C3' 107.509 1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.038 0 C4'-C3'-C2' 104.843 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . 0.411 " H2'" ' H72' ' C' ' 222' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.669 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.504 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.615 2.218 0 O4'-C4'-C3' 107.874 2.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.472 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.524 1.658 0 C4'-C3'-C2' 104.945 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.961 0 O4'-C4'-C3' 107.862 2.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 2.2 tpmt? -40.09 -97.94 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 89.81 172.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 123.779 0.674 . . . . 0.0 111.517 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 79.5 mt-30 -67.26 -42.09 84.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.297 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -145.57 132.36 20.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 26' ' ' LYS . 5.0 t -172.78 165.78 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' O ' ' OP1' ' C' ' 223' ' ' ' DT' . 80.0 m80 -94.61 -60.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.324 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 35' ' ' GLU . 38.5 tp -123.7 130.95 53.43 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.53 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 96.8 p -97.79 -54.1 3.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.9 tp -37.78 -40.71 0.45 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HB2' HD23 ' A' ' 32' ' ' LEU . 21.2 tp10 -66.07 -44.17 85.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 95.6 mt-10 -65.54 -40.71 93.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.648 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 46.5 mttt -57.84 -46.43 84.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.23 -43.7 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.5 mtpt -61.17 -40.21 93.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.106 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.81 -31.14 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 39' ' ' LYS . 28.9 mtm-85 -64.63 -18.25 64.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.6 mt -94.38 -37.56 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.19 -46.04 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.306 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.42 -41.99 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.73 -14.59 61.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.58 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -128.66 29.23 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.2 pttt -70.62 -29.29 65.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.43 -39.75 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -44.81 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.7 tp -112.32 129.98 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.496 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.24 126.54 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -76.24 -42.02 47.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.622 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -50.97 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -140.74 151.24 44.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.8 p -74.84 -11.94 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.6 ' OG ' ' OE1' ' A' ' 78' ' ' GLU . 3.8 t -61.77 -49.03 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.294 0.569 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -43.17 -25.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -79.08 -66.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.927 0.394 . . . . 0.0 110.771 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -57.16 -29.77 63.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.336 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . . . -67.79 -21.77 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.98 -35.71 14.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.732 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.03 -46.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.816 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.4 -16.9 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.451 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.68 -46.35 14.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.16 -19.83 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -15.79 81.03 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 63.8 t80 -114.03 -6.98 13.12 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.33 -0.512 . . . . 0.0 110.537 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.33 3.51 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.731 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.5 m-20 -143.22 -46.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.0 mm-40 -85.81 -21.19 28.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.62 22.34 78.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 51.0 tp -62.47 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -176.27 155.19 1.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 75' ' ' ILE . 19.9 tt -136.4 128.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.15 -80.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.97 153.66 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' OE1' ' OG ' ' A' ' 57' ' ' SER . 81.9 tt0 -66.27 -36.52 83.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.2 t -49.55 -47.94 48.78 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.038 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.89 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.49 -28.19 63.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.225 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 10.2 m -72.35 -10.42 59.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -105.2 -23.72 12.85 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.494 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.613 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.3 m-20 -85.55 -46.08 11.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.813 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.89 HE22 ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.44 -60.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.15 -40.16 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.8 -45.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.961 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.5 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.3 t -58.39 -43.8 88.66 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.452 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.7 mt -56.97 -28.11 28.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.258 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.53 -50.42 37.89 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.834 -0.542 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HG2' HE21 ' A' ' 94' ' ' GLN . 54.3 ttp180 -50.02 -41.78 48.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.274 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -68.74 -39.03 79.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.104 0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.0 t80 -63.62 -42.69 98.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -72.1 -37.06 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 47.6 mt-30 -65.03 -53.6 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -70.3 -11.36 60.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 43.3 tp -78.98 -36.27 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.13 -28.02 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 70.8 m80 -72.23 141.97 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -125.83 142.55 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -155.02 92.44 2.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.72 148.7 32.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.751 2.301 . . . . 0.0 112.589 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.37 78.92 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 64.3 ttp -99.36 135.15 41.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.21 132.42 45.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.1 p -85.59 168.8 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.5 p -135.59 151.93 75.36 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.17 -37.4 4.68 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.386 2.058 . . . . 0.0 112.175 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.95 -49.2 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.673 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.52 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.24 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.89 -43.52 73.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -59.47 -44.16 93.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 0.0 110.752 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.94 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.03 -41.77 92.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.27 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.0 m -63.68 -40.64 97.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.55 -45.35 94.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.96 -45.56 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.434 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.48 -40.47 95.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.448 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.6 -37.8 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.56 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -60.54 -42.57 96.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.827 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.6 mt -62.34 -40.5 96.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.31 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.7 t -67.27 -40.42 86.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.735 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.78 -41.78 91.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.506 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.28 -36.0 80.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.5 -42.17 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.64 -37.05 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.473 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.04 -39.7 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 133' ' ' PHE . 72.2 ttp85 -59.93 -43.54 94.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.45 -41.7 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.73 -41.93 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.491 ' O ' ' O ' ' A' ' 130' ' ' ARG . 69.0 m-85 -97.64 142.43 29.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.79 131.39 55.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 134' ' ' LEU . 35.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.141 0 O4'-C4'-C3' 107.612 2.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.563 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 C4'-C3'-C2' 105.09 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.453 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.847 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 105.392 -3.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.436 " H5'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 C5'--C4' 1.532 2.584 0 C4'-C3'-C2' 105.498 2.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.414 ' C2 ' ' C2 ' ' C' ' 219' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.962 0 C4'-C3'-C2' 105.177 1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.613 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C4'-C3' 107.469 1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.611 2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.787 0 C4'-C3'-C2' 105.003 1.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.402 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.704 0 C4'-C3'-C2' 105.21 2.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.402 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.881 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C1'-C2' 108.363 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.983 0 O4'-C4'-C3' 107.567 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.466 0 C4'-C3'-C2' 105.443 2.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.639 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.703 0 O4'-C4'-C3' 107.401 1.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.639 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.48 1 O4'-C1'-N19 112.038 5.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.408 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 C4'-C3'-C2' 105.194 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . 0.414 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.315 1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.847 0 C4'-C3'-C2' 105.373 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . 0.421 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 P--O5' 1.61 1.698 0 C4'-C3'-C2' 105.45 2.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.49 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.447 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.563 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.428 1.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -60.02 -143.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.338 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 147.7 -164.61 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.84 0.713 . . . . 0.0 110.666 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -88.81 -13.55 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -174.58 96.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -142.64 167.02 23.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.716 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.3 p-80 -103.58 -48.63 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' C ' ' A' ' 31' ' ' HIS . 11.2 mp -120.88 129.43 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' ALA . 89.6 p -110.29 -60.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.7 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.0 tp -38.66 -40.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.16 -44.07 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 25' ' ' ALA . 98.2 mt-10 -64.9 -41.89 95.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.637 ' HZ2' ' P ' ' B' ' 205' ' ' ' DA' . 3.7 ttpt -55.96 -48.03 76.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.64 -43.81 98.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.342 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.0 mtpt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.289 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 54.5 tp -67.27 -48.62 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.89 -30.63 70.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.66 -18.1 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 43' ' ' LEU . 26.5 mt -94.77 -37.42 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.596 HG12 HH12 ' A' ' 122' ' ' ARG . 6.6 t -63.43 -45.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.493 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.81 -41.67 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.02 -14.3 61.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.464 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -129.01 29.38 5.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HA ' HH11 ' A' ' 122' ' ' ARG . 65.2 pttt -70.73 -29.39 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.404 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 65.5 m80 -68.39 -40.87 81.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.757 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -55.84 133.58 51.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.781 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -169.47 131.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.753 HG11 ' OE1' ' A' ' 58' ' ' GLU . 54.4 t -123.25 131.77 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 65.7 t0 -75.86 -34.64 60.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -52.91 -43.6 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.674 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -141.95 114.34 8.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.709 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.85 -45.11 94.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.536 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' OE2' ' A' ' 78' ' ' GLU . 94.9 p -61.27 -25.86 67.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.753 ' OE1' HG11 ' A' ' 52' ' ' VAL . 82.0 tt0 -42.85 -25.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' SER . 51.9 t80 -79.06 -67.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 81.2 m-85 -56.88 -29.56 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.353 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.91 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -91.81 -35.49 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 63' ' ' ILE . 40.9 mm -62.89 -47.08 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.83 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.05 -16.48 64.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -82.33 -46.02 14.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.55 -19.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.32 80.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 25.3 t80 -113.55 -7.16 13.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.545 -0.385 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.42 3.83 21.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.45 -46.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 70.3 mm-40 -85.49 -21.34 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.47 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.65 20.5 78.58 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 74' ' ' ALA . 53.5 tp -62.4 145.71 53.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.395 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -38.22 163.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.44 129.19 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.621 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -126.77 -177.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.627 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -148.65 155.18 40.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.648 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' CG ' HH22 ' A' ' 82' ' ' ARG . 83.9 tt0 -30.12 -62.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.04 0.448 . . . . 0.0 111.072 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -56.0 -51.7 66.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.41 -27.69 62.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.737 0.303 . . . . 0.0 110.412 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.83 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.2 m -72.29 -10.25 59.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.461 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' A' ' 78' ' ' GLU . 91.6 mtm-85 -105.5 -23.73 12.75 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.0 m-20 -85.54 -46.33 10.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.615 ' N ' ' OE1' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -58.11 -61.06 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 -179.529 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 88' ' ' ILE . 90.7 mt -55.67 -39.65 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.243 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.04 -45.31 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.38 . . . . 0.0 111.001 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -58.38 -44.34 88.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.344 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 85' ' ' ILE . 35.6 mt -56.76 -28.69 28.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-O 121.437 0.636 . . . . 0.0 110.141 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.7 mmm -69.57 -51.79 32.14 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.84 -0.537 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG2' HE21 ' A' ' 94' ' ' GLN . 50.1 ttp180 -49.57 -41.8 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.172 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 88' ' ' ILE . 8.0 m -68.76 -39.53 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.8 t80 -63.07 -41.87 99.55 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -72.89 -36.81 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 HE21 ' HG2' ' A' ' 90' ' ' ARG . 46.9 mt-30 -65.12 -53.72 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -70.51 -10.36 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.2 -28.13 29.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -84.86 114.54 22.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -144.59 129.32 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 177.06 157.11 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -56.39 147.81 65.74 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.755 2.303 . . . . 0.0 112.46 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.82 -6.11 18.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 78.3 mtm -112.51 131.97 55.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.82 140.93 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 p -81.41 162.82 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -155.59 158.59 31.87 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.12 -37.63 3.32 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.262 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.75 -49.37 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.1 pt-20 -63.46 -33.98 76.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 53.1 m-20 -66.42 -47.18 74.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.28 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -51.26 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.653 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 ' HZ1' ' A' ' 37' ' ' LYS . 19.2 tp -53.36 -44.33 68.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.204 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.41 -44.31 92.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.401 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.46 -46.21 89.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.701 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.24 -42.19 90.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.6 m -63.16 -41.12 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.35 -45.54 93.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.69 -45.85 90.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.7 ' CE3' ' NH2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -63.76 -41.01 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.73 -37.38 84.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.325 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.96 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.724 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.7 ' NH2' ' CE3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -60.09 -42.71 95.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.04 -40.22 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.654 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -67.97 -40.19 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.92 -41.72 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.2 mt -67.65 -35.39 78.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.78 -42.48 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.27 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.41 -40.58 97.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 39.4 mmm-85 -63.19 -37.35 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.86 -35.85 82.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.54 -44.44 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -65.15 -41.86 94.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.622 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 96.6 mt -75.76 145.9 40.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 O4'-C4'-C3' 107.609 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.603 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 C1'-O4'-C4' 107.316 -1.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O4'-C4'-C3' 107.572 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.581 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.678 2.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.637 ' P ' ' HZ2' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.523 1.52 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.71 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.628 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.388 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.791 2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.41 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C4'-C3' 107.866 2.266 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.569 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 O4'-C4'-C3' 107.641 2.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.569 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-C2' 108.235 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 0 O4'-C4'-C3' 107.571 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.627 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.75 0 O4'-C4'-C3' 107.526 1.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.627 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.085 1 O4'-C1'-N19 111.375 4.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C4'-C3' 107.527 1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.733 0 C4'-C3'-C2' 105.148 1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.506 1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C4'-C3' 107.703 2.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.467 ' OP1' ' O ' ' A' ' 31' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.961 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.603 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C4'-C3' 107.578 1.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 40.4 tttp -131.54 130.32 42.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 79.15 162.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 9.7 mm100 65.97 -28.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.417 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 27' ' ' ALA . 2.2 mmm180 160.76 100.05 0.0 OUTLIER 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 123.445 0.466 . . . . 0.0 110.555 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 5.4 t -145.78 163.79 33.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.713 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -140.68 -56.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' OE2' ' A' ' 35' ' ' GLU . 89.6 mt -123.55 86.9 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.206 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -55.96 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.548 -179.254 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' SER . 55.1 tp -38.23 -40.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.549 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' HD12 ' A' ' 32' ' ' LEU . 60.8 tt0 -66.16 -44.18 84.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' SER . 80.0 mm-40 -64.82 -41.85 95.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.657 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 13.7 mtmt -56.32 -47.64 78.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.57 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -61.16 -39.64 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.45 -48.54 66.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.805 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.86 -30.54 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.466 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.6 mtm-85 -64.93 -17.79 64.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -94.95 -37.73 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG12 ' CE3' ' A' ' 119' ' ' TRP . 52.9 t -62.98 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.388 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.75 -41.4 92.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.407 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -66.28 -14.12 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.418 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -129.17 29.52 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.7 pttt -70.93 -29.25 65.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.401 ' NE2' ' HE3' ' A' ' 48' ' ' LYS . 60.0 m170 -67.91 -40.68 83.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -57.06 125.12 21.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' HB2' HH11 ' A' ' 122' ' ' ARG . 54.7 tp -161.08 128.84 4.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' OE1' ' A' ' 58' ' ' GLU . 54.6 t -122.58 129.96 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.478 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.3 t0 -75.14 -35.47 61.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -52.0 -43.39 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.631 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -143.29 111.18 6.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.601 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -62.17 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' PHE . 78.3 p -60.58 -29.09 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.66 ' OE1' HG11 ' A' ' 52' ' ' VAL . 84.1 tt0 -42.49 -25.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' SER . 40.5 t80 -79.05 -67.18 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 76.8 m-85 -56.71 -29.68 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.45 -20.67 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.649 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -91.93 -35.53 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.81 -47.23 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.98 -16.25 64.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.6 -45.8 14.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.58 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.77 -19.46 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.62 -16.12 80.56 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 38.2 t80 -113.67 -7.13 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.444 -0.445 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.52 3.89 21.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.501 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.46 -46.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 64.9 mm-40 -85.49 -21.29 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.81 -24.72 11.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 25' ' ' ALA . 55.1 tp -45.28 138.36 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -33.77 158.95 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.478 0.486 . . . . 0.0 110.811 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.511 ' O ' ' O ' ' A' ' 76' ' ' HIS . 21.0 tt -89.93 -6.89 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.673 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 32.44 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.348 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.8 p -137.58 155.48 49.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.412 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 77' ' ' THR . 67.1 tt0 -32.86 -56.11 0.37 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.415 0.626 . . . . 0.0 109.963 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -55.68 -51.11 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.045 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.675 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -27.85 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.3 m -72.27 -10.09 59.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.9 mtp180 -105.7 -23.55 12.72 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.63 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 81.7 m-20 -85.79 -46.42 10.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.397 0.436 . . . . 0.0 110.638 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.485 HE21 " H3'" ' B' ' 206' ' ' ' DC' . 79.1 mt-30 -57.96 -61.15 2.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.596 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.4 -39.66 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.82 -44.79 99.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.5 t -58.38 -44.37 88.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.108 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.588 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 79.4 mt -56.73 -28.09 27.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-O 121.631 0.729 . . . . 0.0 110.323 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -70.09 -52.09 26.57 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 121.514 -0.741 . . . . 0.0 110.658 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.677 ' NH2' HE22 ' A' ' 94' ' ' GLN . 73.2 ttp85 -49.03 -41.9 36.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.434 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.883 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 23.1 m -68.85 -39.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.867 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.26 -41.78 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.19 -36.52 66.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.739 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.677 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.9 mt-30 -65.22 -53.85 38.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.6 -10.09 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.5 tp -80.36 -35.66 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.16 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -69.7 124.6 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.635 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -142.17 147.33 36.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -179.91 152.27 0.61 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.96 154.84 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.762 2.308 . . . . 0.0 112.146 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.06 27.47 64.24 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 ttm -84.49 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -77.87 156.64 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.1 p -129.3 158.13 39.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.511 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.37 158.79 33.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -37.66 3.5 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.541 2.161 . . . . 0.0 112.277 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.73 -49.46 62.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 17.2 pt-20 -63.21 -34.25 77.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.11 -47.13 75.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.551 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.6 -51.49 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.65 -43.76 69.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.407 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -59.41 -44.5 92.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.5 -46.45 88.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.86 -42.21 88.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.32 -40.94 98.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.617 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.38 -45.62 93.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -62.53 -45.84 91.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.849 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.54 -40.13 95.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.04 -37.43 84.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.9 90.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.19 -42.6 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.849 HD11 ' NE1' ' A' ' 119' ' ' TRP . 87.3 mt -62.61 -39.67 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.2 t -68.16 -40.23 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.82 -41.67 91.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.78 -35.2 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.589 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.11 -42.37 89.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.24 -37.35 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.85 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.507 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -60.85 -42.27 97.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.7 -39.64 91.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.81 -43.12 97.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.721 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.7 m-85 -128.94 137.68 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.556 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.7 mt -105.62 130.77 53.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' LEU . 15.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.535 1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.61 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.816 0 C4'-C3'-C2' 104.989 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 0 O4'-C4'-C3' 107.524 1.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.092 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.883 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.426 -1.858 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.501 " H4'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C4'-C3' 107.613 2.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.401 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.63 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.174 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.43 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.753 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.019 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.776 2.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C4'-C3' 107.935 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.457 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.445 0 O4'-C4'-C3' 107.533 1.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.765 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 104.996 1.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.765 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.39 1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 0 O4'-C4'-C3' 107.35 1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.937 0 C4'-C3'-C2' 105.055 1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.725 0 C4'-C3'-C2' 105.305 2.105 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.246 0 O4'-C4'-C3' 107.582 1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.61 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.722 2.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.679 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.3 tttm -49.83 85.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 162.06 -92.5 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.883 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.8 mm-40 -37.86 -58.35 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -154.46 103.39 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.496 HG21 ' HA ' ' A' ' 26' ' ' LYS . 6.6 t -143.45 151.43 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -121.59 -33.26 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.094 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 35' ' ' GLU . 48.1 tp -149.16 95.96 2.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 1.5 p -56.32 -63.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HA ' ' HZ2' ' A' ' 37' ' ' LYS . 54.6 tp -37.68 -41.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.801 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.532 ' HB2' HD23 ' A' ' 32' ' ' LEU . 37.8 tt0 -65.61 -44.63 85.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.857 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.5 mt-10 -64.88 -41.47 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HZ2' ' HA ' ' A' ' 34' ' ' LEU . 14.2 mtmt -56.78 -47.43 80.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.662 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.671 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.93 -40.06 91.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -67.11 -48.45 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.94 -30.86 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -64.47 -18.15 64.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.8 -37.68 11.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.09 -45.97 97.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.388 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.79 -41.5 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.453 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.1 -14.31 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.46 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -128.96 29.37 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -70.74 -29.75 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.32 0.581 . . . . 0.0 110.4 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 51' ' ' LEU . 14.7 m80 -68.76 -39.98 80.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.613 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.4 90.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 49' ' ' HIS . 41.6 tp -114.93 123.82 50.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.799 HG11 ' OE1' ' A' ' 58' ' ' GLU . 55.0 t -126.7 135.38 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 64.4 t0 -91.65 -16.98 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.675 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -59.71 -44.53 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.45 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -161.09 130.71 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.53 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 m -63.35 -43.56 97.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.526 ' OG ' ' NH1' ' A' ' 82' ' ' ARG . 36.5 m -57.31 -34.13 68.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.799 ' OE1' HG11 ' A' ' 52' ' ' VAL . 77.8 tt0 -42.43 -25.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.468 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' SER . 40.9 t80 -79.06 -67.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -56.93 -29.71 63.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.483 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.22 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.648 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -91.35 -35.68 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.95 -46.79 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.24 -16.6 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -82.1 -46.14 14.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.43 -19.67 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.531 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.49 -16.05 80.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 38.2 t80 -113.83 -6.97 13.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.382 -0.481 . . . . 0.0 110.544 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.5 3.85 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.45 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 77.6 mm-40 -85.47 -21.29 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.33 45.13 89.32 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.1 tt -62.99 -47.61 82.37 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 152.91 -107.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 O-C-N 123.578 0.549 . . . . 0.0 110.424 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.502 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 44.8 mm -128.96 133.35 66.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.957 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 1.4 m-70 -142.9 160.96 39.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.632 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 3.6 p -137.5 150.9 47.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 77' ' ' THR . 36.4 tt0 -32.89 -62.79 0.24 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.097 0.475 . . . . 0.0 110.109 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -55.14 -50.5 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.969 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.54 -27.77 62.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.401 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.33 -10.34 59.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' NH1' ' OG ' ' A' ' 57' ' ' SER . 95.6 mtt180 -105.35 -23.7 12.8 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.595 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 77.8 m-20 -85.57 -46.36 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.803 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.631 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.07 -60.55 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.734 -179.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.17 -39.5 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.143 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 89' ' ' MET . 1.1 mt -62.55 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.875 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -58.65 -44.05 89.98 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.323 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.93 -30.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.43 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.48 -51.48 42.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.935 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.59 -42.14 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.273 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 22.1 t -68.43 -40.2 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.6 t80 -62.58 -42.17 99.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.352 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.57 -36.78 68.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.7 mt-30 -65.09 -53.65 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.59 -10.45 59.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.2 tp -79.94 -35.88 37.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.17 -27.95 29.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.586 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 39.4 m80 -58.76 121.6 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 84.7 mtp180 -136.44 151.57 49.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.434 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 1.8 mt-30 160.71 158.11 0.04 OUTLIER Pre-proline 0 C--O 1.227 -0.099 0 O-C-N 123.556 0.535 . . . . 0.0 110.772 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.67 153.24 59.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.738 2.292 . . . . 0.0 112.176 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.54 66.52 2.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 77.7 mtm -115.43 133.72 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -81.79 147.02 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.8 p -125.51 155.1 41.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.515 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 158.0 31.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.61 -37.68 5.15 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.443 2.095 . . . . 0.0 112.251 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.79 -49.34 62.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.66 -34.18 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -65.77 -47.0 76.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -50.82 72.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.24 -43.95 71.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.167 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.17 -44.2 92.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.86 -46.13 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.436 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.16 -42.25 90.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.367 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.36 -40.82 98.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.46 -45.5 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -62.67 -45.74 91.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.819 ' NE1' HD11 ' A' ' 123' ' ' LEU . 65.1 t-105 -64.57 -40.21 95.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.87 -37.63 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.76 91.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.437 HH11 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -60.4 -42.52 96.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.467 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.819 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.8 mt -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -67.79 -40.28 83.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.656 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.78 -41.83 91.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.46 -35.61 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.78 -42.27 91.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.48 -37.29 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -62.9 -39.69 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.671 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.1 ttp180 -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.43 -42.68 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -41.68 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.468 ' O ' ' O ' ' A' ' 130' ' ' ARG . 74.3 m-85 -101.66 120.47 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.8 mt -110.44 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 0 O4'-C4'-C3' 107.543 1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.654 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 C4'-C3'-C2' 105.339 2.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.574 1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.439 " H3'" HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O4'-C4'-C3' 107.682 2.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.495 H5'' ' HZ3' ' A' ' 37' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -1.98 0 O4'-C4'-C3' 108.14 2.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.533 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.595 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.059 0 C4'-C3'-C2' 105.112 1.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.426 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.737 0 O4'-C4'-C3' 107.566 1.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.86 0 O4'-C4'-C3' 107.581 1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.925 0 O4'-C4'-C3' 107.807 2.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.989 0 O4'-C4'-C3' 107.628 2.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C4'-C3' 107.922 2.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.44 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.428 -1.646 0 C4'-C3'-C2' 105.255 2.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.744 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C1'-C2' 107.905 1.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.744 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 1 O4'-C1'-N19 111.846 5.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.409 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.5 0 C4'-C3'-C2' 105.046 1.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 0 O4'-C4'-C3' 107.42 1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 C4'-C3'-C2' 105.166 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.828 0 C4'-C3'-C2' 105.394 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 0 C4'-C3'-C2' 105.138 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.654 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C4'-C3' 107.395 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' N ' ' HB2' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.901 0.382 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.749 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.5 mptt -56.47 -163.58 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 150.7 -166.17 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 28' ' ' GLN . 1.9 mp0 -68.79 -42.94 76.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.397 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -156.48 101.47 2.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.125 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.458 HG21 ' O ' ' A' ' 25' ' ' ALA . 14.2 t -146.6 162.69 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' O ' ' O ' ' A' ' 32' ' ' LEU . 99.9 m-70 -118.01 150.75 38.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 91.8 mt 37.0 95.8 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' GLU . 95.1 p -79.17 -54.21 6.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.775 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 55.8 tp -36.91 -41.1 0.32 Allowed 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 123.295 0.372 . . . . 0.0 111.04 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.12 -44.21 84.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.627 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.582 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 5.3 mp0 -65.23 -40.89 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.667 ' CE ' H5'' ' B' ' 205' ' ' ' DA' . 57.4 mttt -57.76 -46.77 84.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.77 -43.99 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.916 0.388 . . . . 0.0 110.552 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.6 mtpt -60.97 -40.08 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.98 -48.41 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.032 0.444 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.71 -31.07 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 39' ' ' LYS . 29.5 mtm-85 -64.62 -18.22 64.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.589 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -94.43 -37.68 11.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.9 t -62.63 -46.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.729 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.69 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -65.71 -15.14 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -128.23 29.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 63.8 pttt -70.38 -30.1 66.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.574 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -55.93 116.77 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -153.05 137.96 17.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' ARG . 39.4 t -128.19 155.19 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.419 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.82 -20.68 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 89.1 mtm180 -58.4 -45.4 88.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.593 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -153.1 127.91 9.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.441 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.3 m -63.29 -43.81 96.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.3 m -58.84 -27.91 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.544 ' OE1' HG11 ' A' ' 52' ' ' VAL . 84.9 tt0 -43.85 -26.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.629 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -79.16 -66.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.781 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -57.08 -29.82 63.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.306 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.32 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.611 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -91.23 -35.62 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.16 -46.7 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 -16.57 64.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.1 -46.25 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.3 -19.72 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.5 -15.87 80.93 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 35.6 t80 -113.92 -7.04 13.18 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.383 -0.481 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.38 3.63 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.36 -46.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.577 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 72.0 mm-40 -85.5 -21.27 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.65 44.83 79.51 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.4 tt -63.29 -45.29 92.09 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.736 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 154.25 -104.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.503 0.502 . . . . 0.0 110.415 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.575 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.5 mt -132.25 129.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 75' ' ' ILE . 0.7 OUTLIER -142.23 151.84 42.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.476 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 3.8 p -131.47 167.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -47.63 -60.16 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -56.37 -51.49 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.682 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.713 ' HB1' ' OP2' ' B' ' 207' ' ' ' DA' . . . -57.87 -27.94 63.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.293 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.6 t -72.07 -10.13 59.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.7 mmm-85 -105.62 -23.55 12.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.616 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.8 m-20 -85.79 -46.35 10.75 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.565 0.541 . . . . 0.0 110.646 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.692 ' HG2' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -56.21 -61.85 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.537 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.692 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 5.7 mt -55.45 -40.08 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.877 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.501 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.62 -44.79 99.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.42 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.472 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.2 t -58.37 -44.03 88.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.297 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HG22 ' A' ' 91' ' ' VAL . 77.9 mt -56.28 -29.58 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.9 mmm -69.23 -50.91 42.87 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.964 -0.46 . . . . 0.0 111.041 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.533 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.3 ttp85 -49.84 -42.0 46.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.222 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.918 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 2.6 m -67.97 -39.32 81.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.188 0.518 . . . . 0.0 111.215 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.69 -42.39 98.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.669 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -72.26 -37.1 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.914 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.533 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.07 -53.49 44.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.471 HH11 H5'' ' B' ' 204' ' ' ' DA' . 94.1 mtt-85 -70.61 -10.87 60.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.55 -35.98 39.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.044 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -28.07 29.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -85.64 117.86 24.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.74 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -141.97 139.55 32.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.465 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' O ' ' SD ' ' A' ' 103' ' ' MET . 65.8 mt-30 -155.31 148.3 18.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.704 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.12 158.69 51.68 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.831 2.354 . . . . 0.0 112.205 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 19.18 71.1 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 100' ' ' GLN . 99.7 mtp -96.43 129.81 43.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -81.28 132.51 35.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 p -86.21 165.02 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -146.51 151.76 44.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -37.61 3.6 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.006 1.804 . . . . 0.0 112.251 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.7 mp0 -67.96 -49.06 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.746 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.6 -34.46 77.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.152 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.89 -46.97 76.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.477 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.99 -50.6 73.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.678 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.67 -43.38 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.215 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.69 -44.34 93.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.68 -45.77 91.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.67 -41.98 91.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.5 m -63.55 -40.76 97.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.49 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.525 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 71.2 tt0 -62.87 -45.67 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.423 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.0 t-105 -64.48 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.552 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.95 -37.66 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.439 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.59 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -60.27 -42.91 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.258 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.647 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.0 mt -62.38 -40.36 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.337 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.1 t -67.27 -40.49 86.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.72 -41.88 91.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.426 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.509 HD21 ' NH1' ' A' ' 122' ' ' ARG . 98.6 mt -67.35 -35.85 80.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.65 -42.22 91.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.36 -37.69 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -67.56 -38.97 84.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 133' ' ' PHE . 41.5 ttm180 -62.21 -42.37 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.52 -40.88 96.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.465 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.37 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.612 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.476 ' O ' ' O ' ' A' ' 130' ' ' ARG . 96.7 m-85 -107.29 117.27 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.452 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 135' ' ' VAL . 88.2 mt -110.12 130.69 55.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 134' ' ' LEU . 4.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.942 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.623 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.852 0 C4'-C3'-C2' 105.017 1.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.661 2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.732 0 O4'-C4'-C3' 107.645 2.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.918 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.415 -2.826 0 O4'-C1'-N19 104.981 -3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.476 " C2'" ' C8 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.811 0 O4'-C4'-C3' 107.859 2.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.713 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.526 1.914 0 O4'-C4'-C3' 107.379 1.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.516 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.714 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.465 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.494 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.473 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.831 0 O4'-C4'-C3' 107.541 1.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.473 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.047 0 O4'-C1'-C2' 108.174 1.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.515 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.806 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.445 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.607 1.41 0 C4'-C3'-C2' 105.203 2.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.796 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-C2' 108.191 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.796 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.479 4.599 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.41 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.711 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.099 0 C4'-C3'-C2' 104.815 1.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.685 0 C4'-C3'-C2' 105.277 2.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.531 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O4'-C4'-C3' 108.402 2.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.406 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.421 -2.271 0 C4'-C3'-C2' 105.145 1.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.623 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.698 0 O4'-C4'-C3' 107.614 2.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 83.6 tttt -37.83 162.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.314 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' H ' HG21 ' A' ' 30' ' ' THR . . . 59.55 -168.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.526 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' ALA . 98.2 mm-40 35.28 65.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.261 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 55.06 86.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.148 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.814 HG21 ' H ' ' A' ' 27' ' ' ALA . 4.9 t -135.58 164.74 27.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.823 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -148.78 123.61 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.341 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp 51.75 77.15 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.251 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.639 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 90.9 p -59.81 -47.09 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.443 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.713 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.3 tp -38.41 -40.96 0.6 Allowed 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.426 0.453 . . . . 0.0 110.35 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -65.59 -44.6 86.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' SER . 71.4 mm-40 -64.71 -41.85 95.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.713 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 32.1 mttt -56.73 -47.32 80.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.195 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 36.5 mt -63.72 -44.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.555 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' CG ' HH11 ' A' ' 42' ' ' ARG . 45.3 mtpt -60.85 -39.77 90.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.41 -48.57 66.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.83 -30.65 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 39' ' ' LYS . 28.8 mtm-85 -64.76 -17.92 64.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.73 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 43' ' ' LEU . 19.0 mt -95.05 -37.48 11.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 22.1 t -62.83 -46.29 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.67 -41.63 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.09 -14.25 61.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.368 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -129.11 29.65 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.601 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.96 -29.28 65.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.27 -40.87 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.628 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -45.21 97.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.584 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 tp -123.23 122.16 37.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' A' ' 58' ' ' GLU . 53.6 t -127.23 135.49 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.515 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.8 t0 -91.51 -18.9 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -58.26 -49.61 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -150.48 128.06 11.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.634 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m -64.35 -44.62 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HH11 ' A' ' 82' ' ' ARG . 78.5 p -58.78 -29.38 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 52' ' ' VAL . 83.4 tt0 -44.64 -26.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.89 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -79.12 -67.11 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.684 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 63.4 m-85 -56.81 -29.57 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.385 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.44 -20.98 64.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.73 -47.28 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.717 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.841 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.96 -16.34 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.578 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.49 -45.92 14.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.74 -19.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.28 80.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD2' ' CE1' ' A' ' 76' ' ' HIS . 12.0 t80 -113.61 -7.08 13.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.495 -0.415 . . . . 0.0 110.499 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.58 3.94 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.52 -46.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.1 mm-40 -85.41 -21.31 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.42 73.7 0.6 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 25' ' ' ALA . 5.9 tt -110.87 153.6 25.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -55.4 -140.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.038 0.447 . . . . 0.0 110.853 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 76' ' ' HIS . 96.2 mt -58.84 154.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.68 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 28.5 p-80 -159.91 117.2 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.613 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.3 p -131.42 145.68 51.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' CG ' ' H ' ' A' ' 79' ' ' SER . 8.3 pt-20 -36.45 -57.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.478 ' H ' ' CG ' ' A' ' 78' ' ' GLU . 11.1 t -55.31 -51.81 65.5 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.484 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.922 ' HB1' HE22 ' A' ' 84' ' ' GLN . . . -57.23 -27.9 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.524 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.841 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.3 m -72.28 -10.11 59.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.5 mtt180 -105.58 -23.69 12.73 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.657 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 70.2 m-20 -85.62 -46.4 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.984 0.421 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.922 HE22 ' HB1' ' A' ' 80' ' ' ALA . 2.1 mp0 -58.04 -61.16 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -55.44 -39.51 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.72 -45.02 99.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.377 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 91' ' ' VAL . 42.9 t -58.34 -44.37 88.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.097 -178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.4 mt -56.22 -29.42 27.65 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.92 -52.27 31.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.794 0.33 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' NH2' HE22 ' A' ' 94' ' ' GLN . 71.8 ttp85 -49.16 -41.77 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.975 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 2.6 m -68.99 -39.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.826 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 82.9 t80 -63.54 -41.68 98.43 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.1 -36.78 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.717 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.642 HE22 ' NH2' ' A' ' 90' ' ' ARG . 80.6 mt-30 -65.09 -53.84 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -70.63 -10.11 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.9 tp -80.49 -35.51 34.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.32 -28.2 29.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -71.77 125.9 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 85.3 mtp180 -142.1 149.45 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 1.2 mt-30 165.77 145.4 0.05 OUTLIER Pre-proline 0 N--CA 1.454 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.58 158.36 56.11 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.769 2.312 . . . . 0.0 112.286 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.57 62.22 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.0 mtp -84.6 137.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -100.79 123.4 44.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.0 p -87.19 164.52 16.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.603 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 164.34 22.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.4 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.06 -37.79 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.437 2.091 . . . . 0.0 112.189 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.4 mp0 -67.67 -49.49 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -63.65 -33.69 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.31 -47.16 74.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.62 -51.45 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.66 -43.6 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.466 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -59.69 -44.55 93.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.36 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.23 -41.94 89.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.343 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.4 m -63.46 -40.92 98.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.37 -45.66 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.57 -45.85 91.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.787 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.1 t-105 -64.57 -39.98 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.16 -37.41 85.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.88 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -60.24 -42.69 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.327 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.787 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.2 mt -62.45 -39.81 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.0 t -68.13 -40.24 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -41.63 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.3 mt -67.86 -35.17 78.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.0 -42.42 89.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.76 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.27 -37.38 72.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.47 -38.18 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -61.49 -40.84 96.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.24 -35.23 69.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.15 -44.08 97.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.62 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -65.5 -40.88 93.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.8 mt -73.55 141.53 46.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 135' ' ' VAL . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.622 2.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.614 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.779 0 C4'-C3'-C2' 105.06 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.657 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.892 0 O4'-C4'-C3' 107.82 2.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.975 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.436 -2.879 0 O4'-C4'-C3' 107.796 2.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.446 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C4'-C3' 107.798 2.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.404 ' C8 ' " C2'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.67 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.657 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.189 0 O4'-C4'-C3' 107.596 1.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.6 2.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.654 2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.516 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.516 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.19 0 O4'-C1'-C2' 107.995 1.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 C4'-C3'-C2' 105.312 2.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.659 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.659 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.033 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.866 0 C4'-C3'-C2' 105.098 1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.604 2.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.842 0 O4'-C4'-C3' 107.854 2.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.54 1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.614 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C4'-C3' 107.519 1.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' N ' HD22 ' A' ' 73' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' CG2' ' A' ' 30' ' ' THR . 76.5 tttt -56.26 -72.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.91 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ARG . 99.0 mm-40 -80.43 79.06 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 28' ' ' GLN . 85.3 mtp180 43.63 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 26' ' ' LYS . 14.4 t -140.63 131.48 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -85.84 -52.31 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 35' ' ' GLU . 50.1 tp -131.23 109.34 10.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.516 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -64.18 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -178.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 57.6 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HB2' HD23 ' A' ' 32' ' ' LEU . 50.9 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.6 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 13.9 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 42' ' ' ARG . 37.0 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.6 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.3 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' A' ' 39' ' ' LYS . 25.4 mtm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.6 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 119' ' ' TRP . 50.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 63.8 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -62.78 -39.98 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -46.96 103.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -116.18 127.67 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.7 t -123.38 132.13 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 66.4 t0 -99.99 -33.88 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -61.85 -50.41 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.524 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 54.6 mtpt -145.14 120.2 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -65.91 -29.83 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.9 t -61.05 -36.91 80.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -44.1 -25.83 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 56.8 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.4 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 82.2 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.3 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . 49.31 102.35 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.24 -65.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.54 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 25' ' ' ALA . . . -175.89 -131.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.8 128.91 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -136.51 154.89 50.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.544 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 3.6 p -132.18 154.71 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 79' ' ' SER . 1.5 pt-20 -37.08 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.469 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.1 t -54.73 -53.04 60.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.553 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.644 ' HB1' ' OP2' ' B' ' 207' ' ' ' DA' . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.551 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 89.0 mtm180 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 73.9 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.674 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 4.0 pt20 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.674 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 13.4 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.0 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 ' OP2' ' B' ' 205' ' ' ' DA' . 6.4 t -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' CZ ' ' OP1' ' B' ' 204' ' ' ' DA' . 51.2 mmt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.1 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -72.32 125.58 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -142.62 133.81 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -154.71 149.16 19.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.64 152.15 69.87 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.829 2.353 . . . . 0.0 112.105 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.11 71.87 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 60.0 ttm -81.7 130.3 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.513 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -76.08 154.79 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 68.9 p -128.01 157.43 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -148.75 158.75 39.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.527 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.85 -37.74 3.52 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 123.027 2.484 . . . . 0.0 112.106 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.5 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.0 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.8 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.833 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.517 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 3.1 ttt180 -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.833 HD11 ' NE1' ' A' ' 119' ' ' TRP . 88.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.1 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.59 -37.94 89.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 133' ' ' PHE . 62.2 ttp180 -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.84 -40.81 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.597 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -43.37 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.9 m-85 -130.01 142.22 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.54 130.96 54.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.622 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.789 2.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.739 2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.447 ' OP1' ' CZ ' ' A' ' 95' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.424 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.887 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-C2' 108.639 2.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.547 " O3'" ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C1' 1.386 -2.597 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.644 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 107.813 2.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.597 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.525 1.79 0 O4'-C4'-C3' 107.749 2.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.829 2.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.852 0 O4'-C4'-C3' 107.746 2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.365 -4.269 0 O4'-C4'-C3' 107.618 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.657 2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.055 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.503 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.372 -3.664 0 O4'-C1'-C2' 108.792 2.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.794 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.446 1.978 0 O4'-C4'-C3' 107.768 2.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.794 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.846 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 207' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.713 2.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.802 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.424 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 107.794 2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 107.561 1.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.132 ' N ' ' HG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.9 tppt? -32.46 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 88.68 176.49 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.141 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 99.5 mm-40 -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -152.2 109.57 3.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 t -146.35 162.27 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -105.44 -32.08 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD13 ' OE2' ' A' ' 35' ' ' GLU . 94.2 mt -132.97 120.58 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 1.132 ' HG ' ' N ' ' A' ' 25' ' ' ALA . 1.7 t -102.9 -63.99 1.12 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.739 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 56.7 tp -38.92 -40.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.252 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' OE2' HD13 ' A' ' 32' ' ' LEU . 42.8 tt0 -66.02 -44.22 85.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 97.0 mt-10 -64.93 -41.87 95.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.477 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.739 ' HZ1' ' N ' ' A' ' 34' ' ' LEU . 5.4 mtmt -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.511 HG22 ' NH2' ' A' ' 42' ' ' ARG . 36.3 mt -63.44 -44.07 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.91 -39.65 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.53 -48.7 66.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.3 mmm -66.78 -30.54 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NH2' HG22 ' A' ' 38' ' ' ILE . 31.3 mtm-85 -64.81 -17.86 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.717 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.3 mt -95.24 -37.49 10.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.751 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 23.9 t -62.93 -46.18 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.85 -41.39 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.19 -14.1 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -129.24 29.59 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HE3' ' NE2' ' A' ' 49' ' ' HIS . 64.1 pttt -70.98 -29.24 65.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.52 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 57.9 m170 -68.55 -39.89 80.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.547 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -46.65 95.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' HIS . 40.8 tp -118.91 123.69 45.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.662 HG11 ' OE1' ' A' ' 58' ' ' GLU . 56.0 t -124.98 134.56 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.1 t0 -91.2 -18.32 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -58.35 -51.08 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.544 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -150.24 133.59 16.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.564 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -67.29 -33.53 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -68.47 -30.44 69.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.662 ' OE1' HG11 ' A' ' 52' ' ' VAL . 67.0 tt0 -44.43 -26.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.787 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -79.17 -67.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 61.6 m-85 -56.65 -29.58 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.52 -20.92 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -91.76 -35.67 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.3 mm -62.61 -47.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.809 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.84 -16.26 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.608 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -82.64 -45.85 14.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.81 -19.25 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.68 -16.27 80.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 87.5 t80 -113.78 -6.86 13.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.496 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.6 mm-40 -85.26 -21.39 29.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.73 71.73 0.6 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.7 tt -94.83 -69.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.221 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -174.47 -152.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.54 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.5 mt -103.9 120.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.543 ' CD2' ' OP2' ' B' ' 207' ' ' ' DA' . 36.1 m170 -133.45 178.24 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.653 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -135.62 158.76 43.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.63 -56.61 2.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.3 t -50.92 -51.45 51.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.943 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.879 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.9 -27.92 61.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.541 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.7 m -72.32 -10.02 59.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.341 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.2 mtp180 -105.76 -23.64 12.68 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.71 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 71.2 m-20 -85.75 -46.43 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.879 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -57.77 -61.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.61 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.29 -39.44 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -63.0 -44.86 99.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -58.06 -44.78 87.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.76 -30.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 88.9 mmm -68.32 -52.62 31.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.427 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 56.5 ttp180 -48.89 -41.89 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 48.1 t -68.64 -40.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 48.4 t80 -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -73.37 -36.63 66.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.12 -53.94 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' NH1' ' OD1' ' A' ' 113' ' ' ASP . 33.4 ptt180 -70.51 -9.99 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -80.84 -35.33 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.3 -28.26 29.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.568 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -85.55 137.26 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 82.7 mtp180 -65.5 -39.23 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 99' ' ' ARG . 10.3 tp60 79.35 53.37 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.64 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 100' ' ' GLN . 56.7 Cg_endo -72.4 151.32 53.59 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.879 2.386 . . . . 0.0 112.263 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.24 19.28 78.58 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.7 mtt -136.46 149.14 48.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.3 p -77.22 166.88 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -152.99 159.15 32.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.84 -37.76 3.52 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.828 2.352 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.6 -49.63 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' A' ' 106' ' ' THR . 17.4 pt-20 -63.46 -33.73 76.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.1 m-20 -66.47 -47.27 73.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.39 -51.69 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.58 HD23 HH22 ' A' ' 95' ' ' ARG . 56.9 tp -53.46 -43.66 68.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.459 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.583 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 53.9 m-20 -59.6 -44.69 93.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.22 -46.53 88.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.98 -42.07 89.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.51 -40.87 98.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.33 -45.71 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -62.44 -45.86 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.4 t-105 -64.68 -39.97 94.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.15 -37.36 84.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -60.09 -42.69 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 119' ' ' TRP . 90.9 mt -62.52 -39.65 94.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -68.32 -40.13 81.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.487 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 126' ' ' LEU . 97.7 mt -67.97 -34.96 77.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.15 -42.44 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -57.21 -37.33 72.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.39 -39.94 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.574 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -61.1 -34.68 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.72 -44.27 96.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.672 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.73 -45.32 90.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.6 mt -116.92 126.67 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.552 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.044 0 O4'-C1'-C2' 108.395 2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.101 0 C4'-C3'-C2' 105.258 2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.016 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.637 " H3'" HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C4'-C3' 107.523 1.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.652 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.42 -2.344 0 O4'-C1'-N19 105.453 -2.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.446 " H3'" ' CG ' ' A' ' 84' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.011 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.543 ' OP2' ' CD2' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C4'-C3' 108.016 2.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.71 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.197 0 C4'-C3'-C2' 105.287 2.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.409 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-C2' 108.1 1.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.468 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.134 0 O4'-C4'-C3' 107.586 1.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.468 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 O4'-C4'-C3' 108.032 2.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C4'-C3' 107.499 1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C4'-C3' 107.687 2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.48 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.852 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-C2' 108.186 1.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.852 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.617 2.379 1 O4'-C1'-N19 112.154 5.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.428 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 218' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.839 0 C4'-C3'-C2' 104.91 1.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C4'-C3'-C2' 105.031 1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 C4'-C3'-C2' 105.067 1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.634 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.873 0 C4'-C3'-C2' 105.049 1.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.951 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.88 2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.89 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.786 ' H ' " H5'" ' B' ' 206' ' ' ' DC' . 32.0 ttmt -65.79 136.28 56.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 80.58 -155.41 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.172 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 25' ' ' ALA . 2.2 pp0? 21.83 62.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.746 0.654 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 60.01 98.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.61 157.49 43.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -124.06 -57.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.36 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -120.7 127.87 52.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.1 p -95.35 -62.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' N ' ' OG ' ' A' ' 33' ' ' SER . 54.8 tp -38.87 -41.58 0.75 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.032 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -65.68 -44.51 86.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.293 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.89 ' OE1' ' HB1' ' A' ' 25' ' ' ALA . 72.4 mt-10 -65.11 -41.26 95.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.801 ' NZ ' ' OP1' ' B' ' 205' ' ' ' DA' . 44.3 mtmt -57.37 -46.55 83.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.22 -43.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.366 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.7 mtpt -60.99 -40.32 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.299 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 tp -66.81 -48.21 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -67.08 -30.9 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 HH21 ' HD3' ' A' ' 42' ' ' ARG . 28.5 mtm-85 -64.73 -18.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 19.1 mt -94.41 -37.52 11.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.787 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG12 ' CE3' ' A' ' 119' ' ' TRP . 54.4 t -63.13 -46.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.348 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.36 -41.9 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -65.78 -14.46 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.636 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 43' ' ' LEU . 44.8 m80 -128.71 29.03 5.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 118' ' ' GLU . 64.6 pttt -69.9 -30.43 67.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.403 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 35.7 m80 -71.44 -38.64 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -55.94 113.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.432 . . . . 0.0 110.787 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 tp -149.83 130.18 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.535 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -123.9 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.496 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 54' ' ' ARG . 64.5 t0 -65.0 -38.36 90.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' ASP . 94.3 mtt-85 -32.43 -78.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -134.56 135.52 42.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -63.64 -33.54 75.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -61.93 -32.89 73.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -43.72 -26.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -78.96 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.14 -29.74 63.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.13 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.67 -35.65 14.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.9 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.494 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.797 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.52 -16.83 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -81.66 -46.4 14.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.22 -19.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.611 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.6 -15.63 81.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 41.9 t80 -114.1 -7.04 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.356 -0.496 . . . . 0.0 110.42 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.37 3.58 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.22 -46.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 69.9 mm-40 -85.41 -21.29 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.44 48.43 76.01 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 25' ' ' ALA . 2.1 tt -66.0 -47.24 75.15 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.094 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.73 -104.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.451 0.469 . . . . 0.0 110.284 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.55 129.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.43 ' CE1' HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -140.64 158.02 44.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.627 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 2.1 p -132.43 151.06 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' THR . 97.0 mt-10 -34.29 -60.06 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -54.93 -50.66 68.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.598 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -57.92 -27.77 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.5 m -72.41 -10.6 59.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.4 mtm-85 -104.96 -23.67 12.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.61 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 74.9 m-20 -85.61 -46.29 10.93 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.53 0.519 . . . . 0.0 110.94 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.682 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -58.32 -60.11 4.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.753 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.7 mt -56.14 -39.91 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.969 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -62.73 -44.59 99.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.303 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.53 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.7 t -58.47 -43.83 89.09 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.622 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.6 mt -56.94 -28.46 28.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.079 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.14 -50.31 41.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.423 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 52.0 ttp180 -50.14 -41.99 49.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.177 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.98 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.9 m -68.15 -39.07 80.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.224 0.535 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 84.1 t80 -63.68 -42.83 97.98 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.752 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.9 -37.29 70.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.731 0.644 . . . . 0.0 110.953 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.89 -53.62 43.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.423 HH11 H5'' ' B' ' 204' ' ' ' DA' . 35.8 ttm180 -70.26 -11.44 60.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.17 -35.99 41.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.027 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.18 -27.91 29.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.64 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -62.41 128.36 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 100' ' ' GLN . 85.8 mtp180 -104.0 1.84 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ARG . 56.4 mt-30 -30.03 95.13 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 O-C-N 123.609 0.568 . . . . 0.0 110.763 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' ARG . 60.8 Cg_endo -79.14 158.26 26.66 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.801 2.334 . . . . 0.0 112.488 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.89 8.77 75.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.7 140.76 31.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -79.98 135.78 36.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.6 p -82.48 165.85 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -151.2 153.06 32.25 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.439 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.11 -37.41 4.74 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.22 1.947 . . . . 0.0 112.042 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -68.1 -49.13 63.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.669 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.68 -34.42 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.77 -46.83 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.23 -50.28 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.08 -42.8 73.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.338 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -60.32 -44.46 95.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.045 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.38 -45.53 92.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.08 -41.78 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.358 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.4 m -63.67 -40.67 97.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.476 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.54 -45.32 94.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 48' ' ' LYS . 71.9 tt0 -62.99 -45.58 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.49 -40.06 94.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.62 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.23 -37.63 86.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.417 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.67 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.731 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.3 -45.12 92.16 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.019 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 86.7 mt -60.71 -40.07 90.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.372 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 t -67.24 -40.46 86.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.801 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.8 -41.85 92.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.504 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' CD1' ' NH1' ' A' ' 122' ' ' ARG . 96.6 mt -67.34 -35.96 80.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.51 -42.15 92.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.41 -37.6 72.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.1 -38.51 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.93 -42.43 93.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.85 -36.04 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -43.71 98.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -63.38 -43.0 98.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.18 141.46 43.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.621 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.806 0 C4'-C3'-C2' 105.187 1.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.165 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.574 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.61 1.657 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.98 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--O5' 1.619 2.569 0 O4'-C4'-C3' 108.107 2.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.786 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.304 0 O4'-C1'-N19 109.499 2.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.574 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.912 0 O4'-C4'-C3' 107.575 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.61 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.166 0 O4'-C4'-C3' 107.49 1.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C4'-C3' 107.601 2.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-C2' 108.254 1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.694 0 O4'-C4'-C3' 107.367 1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.88 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-C2' 108.258 1.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.722 0 C4'-C3'-C2' 105.336 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.435 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.606 1.265 0 O4'-C4'-C3' 107.598 1.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.789 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.597 0 O4'-C1'-C2' 108.022 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.789 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.758 4.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.423 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -1.996 0 O4'-C4'-C3' 107.651 2.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C4'-C3' 107.502 1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.799 0 C4'-C3'-C2' 105.03 1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.796 0 C4'-C3'-C2' 105.4 2.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 O4'-C4'-C3' 107.647 2.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C4'-C3'-C2' 105.19 1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.621 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.08 0 O4'-C4'-C3' 107.402 1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.758 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -47.42 -95.52 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 92.29 -171.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.64 0.587 . . . . 0.0 111.001 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' O ' ' OP1' ' C' ' 222' ' ' ' DT' . 85.2 mt-30 -93.87 -7.86 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -176.42 106.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -151.41 158.02 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -99.77 -35.39 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.421 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.2 mt -124.15 132.24 53.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.361 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.591 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 6.0 m -113.42 -72.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.136 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.8 tp -38.71 -40.54 0.62 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -65.71 -44.52 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 98.5 mt-10 -64.78 -41.82 95.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.594 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HE3' ' N ' ' A' ' 34' ' ' LEU . 37.7 mttt -56.88 -47.18 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.71 -43.91 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 44.1 mtpt -61.03 -39.67 90.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.42 -48.53 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.95 -30.59 70.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.5 mtm-85 -64.81 -17.88 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -94.88 -37.8 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.614 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.7 t -62.94 -46.23 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.296 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.57 -41.49 92.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.18 -14.31 61.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.456 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -128.98 29.47 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -70.75 -29.48 65.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -72.97 -36.55 67.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -50.81 115.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.613 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.25 126.77 17.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' ARG . 2.4 t -127.04 133.67 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -86.99 -9.74 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 94.7 mtm-85 -61.86 -44.33 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -149.45 133.7 17.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 m -62.83 -46.3 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.677 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -44.99 -26.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.852 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -79.09 -67.2 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 37.1 m-85 -56.85 -29.58 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.344 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.4 -20.92 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -91.7 -35.63 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.4 mm -62.85 -47.19 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.821 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.9 -16.46 64.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -82.43 -45.98 14.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.553 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.62 -19.49 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.56 -16.28 80.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 92.1 t80 -113.78 -6.89 13.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.542 -0.387 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.499 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.57 3.92 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.47 -46.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 65.8 mm-40 -85.42 -21.27 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 49.84 71.33 0.63 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 73' ' ' LEU . 5.2 tt -90.6 -72.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -175.41 -127.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mm -108.46 126.84 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.487 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.507 ' NE2' HD13 ' A' ' 73' ' ' LEU . 98.5 m-70 -140.45 153.79 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.631 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.695 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 29.8 p -134.72 154.51 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.403 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 57.9 mp0 -34.64 -59.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.295 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 t -54.19 -51.79 63.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.517 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' ' 77' ' ' THR . . . -57.09 -28.0 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.456 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.8 m -72.0 -10.35 59.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 39.3 mmm-85 -105.66 -23.65 12.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.607 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 45.2 m-20 -85.73 -46.37 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.642 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 10.8 pt20 -57.72 -61.28 2.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.632 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 20.9 mt -55.49 -39.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.356 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.453 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.8 OUTLIER -62.24 -45.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.786 179.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.7 t -58.2 -44.43 88.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.284 -178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.929 ' O ' HG22 ' A' ' 91' ' ' VAL . 55.7 mt -56.05 -29.7 27.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.29 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.7 mmm -68.8 -52.17 33.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.792 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.787 ' NH2' HE22 ' A' ' 94' ' ' GLN . 68.1 ttp85 -49.01 -41.75 35.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 88' ' ' ILE . 2.4 m -69.05 -39.12 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.767 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.3 t80 -63.64 -41.65 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -73.09 -36.77 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.787 HE22 ' NH2' ' A' ' 90' ' ' ARG . 46.3 mt-30 -65.18 -53.72 40.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mmt-85 -70.71 -10.02 58.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.2 tp -80.39 -35.65 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.79 139.75 49.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -133.97 138.83 45.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -155.49 109.45 2.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.53 153.07 34.4 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.869 2.379 . . . . 0.0 112.075 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.84 81.57 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.0 ttm -98.92 130.37 45.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.26 132.32 35.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.5 p -86.35 168.22 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.489 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -131.93 160.4 67.85 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -72.68 -37.68 3.79 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.564 2.176 . . . . 0.0 112.302 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.69 -49.49 62.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.489 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 19.1 pt-20 -63.38 -34.05 76.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.431 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 106' ' ' THR . 99.7 m-20 -66.06 -47.23 74.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.526 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.64 -51.41 70.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.3 tp -53.72 -43.77 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.346 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -59.43 -44.49 92.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.49 -46.4 88.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.03 -42.12 89.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.355 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.41 -40.92 98.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.37 -45.68 93.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -62.52 -45.82 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.78 ' CH2' ' NH2' ' A' ' 122' ' ' ARG . 48.2 t-105 -64.42 -40.17 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.36 84.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.308 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.98 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.78 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.19 -42.63 95.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.475 ' HG ' ' NH2' ' A' ' 122' ' ' ARG . 19.3 mt -62.38 -39.73 94.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.9 t -68.05 -40.31 82.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.603 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.88 -41.73 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 126' ' ' LEU . 86.3 mt -67.49 -35.32 78.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.96 -42.54 89.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -57.24 -37.37 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.76 -31.58 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.863 HH22 HD21 ' A' ' 134' ' ' LEU . 78.2 ttt-85 -66.31 -18.55 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -39.32 -27.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' ARG . 98.7 mttt -63.02 -44.9 94.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.728 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 130' ' ' ARG . 83.5 m-85 -67.13 -39.23 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.863 HD21 HH22 ' A' ' 130' ' ' ARG . 96.0 mt -71.94 140.88 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.534 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.609 1.614 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.847 0 C4'-C3'-C2' 105.079 1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.417 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.241 0 O4'-C4'-C3' 107.695 2.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.733 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-N19 105.172 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 105.585 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.592 ' OP2' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.607 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.883 0 O4'-C4'-C3' 107.542 1.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.455 0 C4'-C3'-C2' 105.408 2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.428 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.473 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.241 0 O4'-C4'-C3' 107.626 2.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.473 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 O4'-C1'-C2' 108.017 1.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C4'-C3' 107.815 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 O4'-C4'-C3' 107.621 2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.411 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.443 0 C4'-C3'-C2' 105.296 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.736 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.304 1.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.736 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.097 1 O4'-C1'-N19 111.213 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.458 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.7 0 O4'-C4'-C3' 107.705 2.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 0 C4'-C3'-C2' 104.995 1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.798 0 C4'-C3'-C2' 105.192 1.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C4'-C3'-C2' 105.259 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.618 " C4'" ' HZ2' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.47 " H5'" ' HZ1' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.875 0 O4'-C4'-C3' 107.594 1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.534 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.887 2.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' O ' ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' NZ ' " O4'" ' C' ' 222' ' ' ' DT' . 55.3 tttm -55.55 149.22 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.15 166.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.536 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 58.11 64.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.617 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 59.06 81.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 1.4 t -133.44 163.1 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -147.3 -12.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.94 149.79 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.571 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.54 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 94.2 p -137.72 -85.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.25 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -65.9 -44.42 85.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG2' ' N ' ' A' ' 37' ' ' LYS . 1.4 pt-20 -64.63 -42.35 95.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 15.0 mtmt -55.37 -48.27 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.421 HG22 ' NE ' ' A' ' 42' ' ' ARG . 94.3 mt -63.56 -43.93 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' CG ' HH11 ' A' ' 42' ' ' ARG . 44.2 mtpt -60.94 -39.36 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.3 tp -67.95 -48.78 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.92 -30.13 70.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' A' ' 39' ' ' LYS . 40.3 mtm180 -65.06 -17.51 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.2 mt -95.81 -37.23 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.623 ' CG1' ' CE3' ' A' ' 119' ' ' TRP . 16.9 t -63.13 -46.06 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.26 -40.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -66.48 -13.87 61.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -129.51 29.66 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.17 -28.97 64.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -64.57 -40.01 94.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.561 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -43.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 51' ' ' LEU . 45.5 tp -113.81 127.89 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.3 t -123.23 133.11 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.1 t0 -100.94 -31.41 11.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -63.91 -52.15 61.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 55.0 mtpt -144.85 124.09 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.3 p -67.69 -31.6 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.451 ' OG ' ' OE2' ' A' ' 78' ' ' GLU . 53.8 m -60.07 -36.82 78.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -42.42 -25.8 0.09 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -79.19 -67.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 54.7 m-85 -56.24 -29.56 61.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.92 -20.46 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.28 -35.39 13.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.3 mm -62.25 -48.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.831 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -15.74 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.22 -45.58 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -18.95 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.64 -16.31 80.33 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 23.0 t80 -113.82 -6.81 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.68 4.08 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.68 -46.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 62.1 mm-40 -85.22 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.39 -7.69 67.36 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' O ' ' O ' ' A' ' 74' ' ' ALA . 57.7 tp -54.86 146.27 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.781 0.325 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -33.36 158.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 76' ' ' HIS . 95.2 mt -61.06 -43.43 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' ' OP2' ' B' ' 207' ' ' ' DA' . 33.4 m170 55.76 119.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.546 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 2.7 p -81.34 159.52 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' OE2' ' OG ' ' A' ' 57' ' ' SER . 70.2 tt0 -36.03 -57.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.2 t -54.58 -53.01 60.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.726 1.266 . . . . 0.0 110.555 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.911 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.69 -27.87 59.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.831 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.0 m -72.4 -9.75 58.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 77.9 mtp85 -105.97 -23.54 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 68.4 m-20 -86.1 -46.22 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.911 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.61 -61.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.2 mt -54.88 -39.28 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.614 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -63.26 -44.72 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.598 ' O ' HG13 ' A' ' 91' ' ' VAL . 46.7 t -57.71 -45.36 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 91' ' ' VAL . 81.7 mt -55.65 -29.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.0 mmm -68.2 -53.5 24.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' A' ' 94' ' ' GLN . 72.0 ttp85 -47.96 -42.04 26.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.94 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.0 OUTLIER -69.5 -38.92 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.484 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.1 t80 -63.76 -40.75 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.98 -36.32 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 19.6 mt-30 -65.14 -54.27 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.557 ' CZ ' ' OE2' ' A' ' 109' ' ' GLU . 53.2 ttt180 -70.31 -9.6 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 39.7 tp -81.78 -34.68 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.45 29.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.6 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.26 117.82 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -140.51 147.6 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.39 154.66 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.95 152.17 73.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.878 2.386 . . . . 0.0 112.098 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.46 24.36 70.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 31.4 ttm -80.48 128.17 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -73.53 149.13 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.5 p -124.51 158.52 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.67 157.46 33.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.86 -37.75 4.77 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.466 2.11 . . . . 0.0 112.125 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.2 mp0 -67.47 -49.84 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.557 ' OE2' ' CZ ' ' A' ' 95' ' ' ARG . 77.7 tt0 -63.47 -33.42 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.54 -47.44 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.08 -52.34 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.4 tp -52.52 -44.29 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -59.29 -44.88 92.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.1 -47.15 85.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.31 -41.1 98.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -61.21 -45.92 92.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.0 tt0 -62.08 -46.15 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.869 ' NE1' HD11 ' A' ' 123' ' ' LEU . 61.8 t-105 -64.73 -39.81 94.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.19 -37.13 84.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.536 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.13 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.658 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.67 94.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.869 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.5 mt -62.67 -39.32 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.5 t -68.9 -39.81 79.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.8 -41.63 91.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD11 ' NH2' ' A' ' 122' ' ' ARG . 98.4 mt -68.54 -34.21 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.56 -42.43 87.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.21 -37.12 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -63.78 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.86 -42.57 93.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.01 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.63 -40.71 97.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -72.51 140.81 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' O ' ' C ' ' A' ' 135' ' ' VAL . 87.4 mt -111.78 132.0 54.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 134' ' ' LEU . 28.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C4'-C3' 107.724 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C1'-O4'-C4' 106.566 -2.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.94 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.755 2.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.479 ' OP1' ' OE2' ' A' ' 36' ' ' GLU . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.773 2.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.544 ' OP2' ' CD2' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 1.962 0 O4'-C4'-C3' 107.747 2.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.576 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.745 2.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.475 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C1'-N19 110.168 2.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C4'-C3' 107.792 2.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.435 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.447 2.11 0 O4'-C1'-C2' 109.495 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C4'-C3' 107.707 2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.266 0 O4'-C4'-C3' 107.828 2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.475 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 1 O4'--C1' 1.366 -4.131 0 O4'-C1'-C2' 109.293 2.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.74 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.865 0 O4'-C4'-C3' 107.79 2.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.74 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.843 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.468 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C4'-C3' 107.812 2.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C4'-C3' 107.73 2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.743 0 O4'-C4'-C3' 107.736 2.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.504 " O4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C4'-C3' 107.733 2.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.786 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.574 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.844 0 O4'-C1'-N19 109.702 2.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.083 ' HZ3' ' CG ' ' A' ' 31' ' ' HIS . 25.8 ttpt -62.06 -40.89 97.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 30' ' ' THR . . . -173.99 143.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.536 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.577 ' O ' " O3'" ' B' ' 206' ' ' ' DC' . 6.3 tt0 -83.9 -40.66 18.3 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.939 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -100.14 10.07 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.646 ' CG2' ' N ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -144.66 177.0 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 -179.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.083 ' CG ' ' HZ3' ' A' ' 26' ' ' LYS . 4.1 t-160 -39.13 134.64 1.06 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.718 ' N ' ' HD2' ' A' ' 31' ' ' HIS . 2.8 mt -87.0 -161.69 0.71 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.503 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLU . 11.4 t -111.64 139.06 47.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -41.7 -38.47 1.44 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.54 -43.04 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.578 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' SER . 6.1 tp10 -66.71 -37.71 85.24 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.307 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' H5'' ' B' ' 205' ' ' ' DA' . 18.6 mtmt -61.28 -45.01 96.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.927 0.394 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.4 -43.3 97.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -61.13 -43.25 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' VAL . 52.7 tp -64.77 -46.65 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.6 mmm -68.71 -32.47 72.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -61.72 -21.62 64.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.4 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.21 -37.76 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.237 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.2 t -62.34 -46.24 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.76 -43.38 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.637 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -64.35 -16.87 63.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -125.45 27.16 6.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 49' ' ' HIS . 65.2 pttt -66.96 -33.29 75.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.4 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 50.1 m80 -67.8 -40.59 83.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.278 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -52.87 134.33 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.906 0.384 . . . . 0.0 111.018 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -169.45 137.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 54' ' ' ARG . 46.8 t -130.87 155.28 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 49.1 t0 -96.47 -22.21 17.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.25 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.638 ' H ' HG12 ' A' ' 52' ' ' VAL . 92.3 mtm-85 -56.05 -46.22 78.98 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.477 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -149.71 129.5 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.464 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -63.27 -44.01 96.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.6 t -62.94 -19.77 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' OE1' HG11 ' A' ' 52' ' ' VAL . 81.8 tt0 -47.31 -26.56 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.556 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -78.55 -65.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -59.1 -31.0 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.153 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.06 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -90.48 -34.53 15.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 63' ' ' ILE . 37.4 mm -63.6 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.915 0.388 . . . . 0.0 110.586 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.778 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -69.33 -20.61 63.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -77.05 -48.46 17.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.495 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -79.71 -21.66 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -14.21 82.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 46.5 t80 -115.52 -7.86 12.2 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.532 -0.393 . . . . 0.0 110.47 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.3 mt-10 -107.82 1.95 23.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 99.5 m-20 -141.79 -45.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.932 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -86.91 -19.95 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.35 13.25 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 32' ' ' LEU . 56.2 tp -79.28 -81.91 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -171.2 -156.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.845 HG22 ' H ' ' A' ' 76' ' ' HIS . 36.7 mm -59.18 179.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.845 ' H ' HG22 ' A' ' 75' ' ' ILE . 62.4 m170 -106.94 146.17 31.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.48 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.526 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.0 OUTLIER -167.0 93.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.937 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.45 -48.75 2.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 111.427 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -60.26 -47.35 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.352 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.704 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -61.23 -28.24 69.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.947 0.879 . . . . 0.0 109.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 18.1 m -70.05 -15.12 62.96 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.559 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -102.21 -24.05 13.95 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' ND2' ' N7 ' ' B' ' 208' ' ' ' DA' . 76.7 m-20 -83.55 -44.48 14.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 111.333 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.704 ' NE2' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -62.09 -55.56 27.73 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.794 -178.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.44 -41.37 84.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG21 ' N7 ' ' C' ' 216' ' ' ' DA' . 0.7 OUTLIER -59.11 -47.25 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.783 0.325 . . . . 0.0 110.519 177.643 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.5 t -57.18 -42.22 80.76 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.154 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.5 -22.34 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.7 -44.93 31.49 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.948 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.782 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 50.8 ttp180 -55.3 -44.78 76.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.205 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.921 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 34.6 m -66.99 -38.5 81.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.635 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 91' ' ' VAL . 83.9 t80 -61.69 -46.81 88.12 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.76 -38.77 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -63.82 -52.65 59.21 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 111.493 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH1' ' OP1' ' B' ' 204' ' ' ' DA' . 59.9 ttm-85 -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 0.0 110.197 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.15 -38.68 69.12 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.451 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.52 -27.68 34.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -84.95 132.35 34.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.678 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -89.86 151.5 21.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.423 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.655 ' NE2' ' SD ' ' A' ' 103' ' ' MET . 17.7 mm100 -126.65 63.94 55.66 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.602 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.29 144.06 40.63 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.668 2.245 . . . . 0.0 112.116 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.63 22.75 76.79 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.655 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 66.8 mtt -122.91 144.48 49.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -83.67 136.04 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.9 p -82.94 168.28 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.37 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.585 ' N ' ' OE2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.9 157.33 78.02 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.48 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.15 -36.42 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.51 2.14 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -68.88 -47.0 66.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.898 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' A' ' 106' ' ' THR . 16.5 pt-20 -65.08 -37.07 86.34 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -45.3 93.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.395 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.14 -45.17 94.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.842 0.353 . . . . 0.0 111.137 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.31 -41.35 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.59 -43.16 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.23 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.36 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.1 -41.57 99.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.91 -40.21 95.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.33 -44.14 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.83 -44.54 89.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.474 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.854 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.5 t-105 -64.56 -40.54 95.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.97 -39.14 91.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.52 99.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.715 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -60.17 -47.66 85.0 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.854 HD11 ' NE1' ' A' ' 119' ' ' TRP . 94.5 mt -58.14 -42.72 86.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.172 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -64.04 -41.42 97.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.99 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.11 -43.6 91.93 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.645 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.5 mt -65.28 -38.91 91.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.77 -42.01 99.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.04 -40.99 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -68.8 -37.7 79.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.7 ttt180 -63.26 -41.72 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.19 -33.04 25.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.665 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.93 -41.22 99.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.428 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.495 ' O ' ' O ' ' A' ' 130' ' ' ARG . 81.1 m-85 -103.02 145.46 29.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.3 mt -104.78 130.19 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 108.587 2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C4'-C3' 107.973 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.979 0 C4'-C3'-C2' 105.155 1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.559 ' OP1' ' NH1' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.883 0 C4'-C3'-C2' 105.416 2.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.921 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 1 O4'--C4' 1.388 -5.257 0 O4'-C1'-N19 104.863 -3.671 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.577 " O3'" ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 1 C5'--C4' 1.547 4.527 0 O5'-C5'-C4' 114.17 2.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.438 ' OP1' ' O ' ' A' ' 28' ' ' GLN . . . . . . . . 0 O4'--C4' 1.433 -1.206 0 O4'-C4'-C3' 108.181 2.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.537 ' N7 ' ' ND2' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 O5'-C5'-C4' 113.157 2.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 0 O4'-C4'-C3' 107.64 2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.19 1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 C4'-C3'-C2' 105.117 1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.049 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C4'-C3' 107.93 2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.005 0 O4'-C4'-C3' 107.637 2.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.452 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.608 1.463 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.721 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C1'-C2' 108.05 1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.721 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C1'-N19 110.111 2.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.782 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.222 0 O4'-C4'-C3' 107.674 2.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 0 O4'-C4'-C3' 107.652 2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 0 C4'-C3'-C2' 105.042 1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . 0.439 " O4'" ' OG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.891 2.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.565 " O4'" HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.185 1.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C4'-C3' 108.011 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C4'-C3' 107.85 2.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.729 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 87.9 tttt -59.3 77.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 156.71 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.6 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' ALA . 99.9 mm-40 -35.05 -37.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.237 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HE ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 ptt180 177.38 101.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.188 0.518 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 26' ' ' LYS . 5.0 t -142.25 154.93 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.74 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -129.78 -39.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.22 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' SER . 95.6 mt -140.46 72.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.076 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -38.91 -64.21 0.46 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.715 -179.054 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' N ' ' HZ1' ' A' ' 37' ' ' LYS . 55.2 tp -38.21 -40.95 0.56 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.581 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.16 -44.05 85.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.492 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' SER . 97.1 mt-10 -64.91 -41.85 95.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 12.7 mtmt -56.37 -47.45 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.9 -43.65 97.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -61.11 -39.84 91.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.38 -48.4 67.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.4 mmm -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.304 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -64.7 -17.96 64.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 43' ' ' LEU . 21.5 mt -95.01 -37.54 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.6 t -63.2 -46.0 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.331 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -41.51 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.322 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -66.1 -14.25 61.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.402 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -129.05 29.45 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.652 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 64.1 pttt -70.86 -29.3 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 67.1 m80 -67.49 -42.9 82.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 97.8 mt-10 -39.13 96.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . 42.5 tp -118.66 119.54 34.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.69 HG11 ' OE1' ' A' ' 58' ' ' GLU . 49.8 t -128.21 137.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -95.52 -6.74 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.575 ' H ' HG12 ' A' ' 52' ' ' VAL . 92.0 mtm-85 -65.59 -41.45 92.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -166.88 130.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.49 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.2 m -62.08 -42.34 99.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.4 p -58.51 -32.41 68.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.69 ' OE1' HG11 ' A' ' 52' ' ' VAL . 76.2 tt0 -44.18 -26.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.018 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -79.04 -67.22 0.77 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 81' ' ' CYS . 65.4 m-85 -56.87 -29.56 63.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.335 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.96 64.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.7 -35.61 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -62.82 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.71 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.82 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.02 -16.34 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.4 -46.03 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.54 -19.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.55 -16.35 80.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 45.0 t80 -113.52 -7.08 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.46 -0.435 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.6 mt-10 -109.62 3.94 21.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.5 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.4 m-20 -143.54 -46.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.6 mm-40 -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.34 87.06 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.6 128.83 37.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.451 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -64.55 142.65 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 68' ' ' TYR . 46.1 pt -128.64 164.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.558 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.539 ' CE1' ' OP1' ' B' ' 207' ' ' ' DA' . 50.0 m80 -129.46 -55.92 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -159.04 164.86 35.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 8.6 tm-20 -56.04 -40.45 73.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.864 0.84 . . . . 0.0 108.867 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.9 t -51.19 -50.05 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.772 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' H ' HG23 ' A' ' 77' ' ' THR . . . -57.29 -27.82 62.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.48 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 6.5 m -72.24 -10.2 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 85.8 mtp180 -105.65 -23.56 12.73 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 64.4 m-20 -85.74 -46.43 10.71 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.349 0.405 . . . . 0.0 110.512 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -57.94 -61.17 2.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.643 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.8 mt -55.53 -39.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -62.59 -45.15 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.466 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.608 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.835 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.7 mt -56.06 -29.66 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.337 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.77 -52.08 34.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.659 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 52.6 ttp180 -49.35 -41.61 39.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.095 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.984 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 1.0 OUTLIER -69.01 -39.52 79.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.452 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.3 t80 -63.24 -41.85 99.14 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.021 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -72.97 -36.81 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.739 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.419 HE21 ' HG2' ' A' ' 90' ' ' ARG . 34.9 mt-30 -65.15 -53.78 39.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -70.35 -10.65 59.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.4 tp -80.0 -35.66 37.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.028 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.34 -28.14 29.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.456 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -68.39 124.93 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 141.55 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.63 153.98 0.83 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.637 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.98 155.38 68.64 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.883 2.389 . . . . 0.0 112.194 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.85 23.83 59.07 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.0 ttp -81.28 132.61 35.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -83.83 153.83 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -123.26 131.81 53.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -133.22 156.78 79.53 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.48 -37.71 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.942 2.428 . . . . 0.0 112.577 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 34' ' ' LEU . 55.9 mp0 -67.7 -49.42 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 20.2 pt-20 -63.33 -34.23 77.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 46.7 m-20 -66.04 -47.07 75.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.67 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.83 -51.21 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.8 -43.7 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.54 -44.49 93.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.575 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.48 -46.33 88.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.97 90.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.4 -45.64 93.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -62.63 -45.77 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.682 ' NE1' HD11 ' A' ' 123' ' ' LEU . 60.0 t-105 -64.46 -40.26 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.9 -37.52 84.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.88 90.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.534 ' NE ' ' O ' ' A' ' 48' ' ' LYS . 2.9 ttt180 -60.22 -42.53 95.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.682 HD11 ' NE1' ' A' ' 119' ' ' TRP . 40.9 mt -62.45 -40.06 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.378 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -67.81 -40.47 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -59.63 -41.78 91.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.0 mt -67.69 -35.32 78.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.91 -42.44 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.38 -37.27 72.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -61.97 -39.49 92.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.686 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 133' ' ' PHE . 30.5 tpt85 -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.228 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -40.28 91.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.97 -41.58 99.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.1 m-85 -100.7 119.52 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.67 131.18 55.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C4'-C3' 107.483 1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.606 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.762 0 C4'-C3'-C2' 105.009 1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.968 0 O4'-C4'-C3' 107.465 1.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.65 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.049 0 O4'-C4'-C3' 107.983 2.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.984 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 P--OP2 1.451 -1.991 0 O4'-C4'-C3' 108.422 2.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.69 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C4' 1.425 -1.911 0 C4'-C3'-C2' 105.137 1.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.539 ' OP1' ' CE1' ' A' ' 76' ' ' HIS . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C4'-C3' 107.642 2.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.597 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.616 2.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.613 0 C4'-C3'-C2' 105.562 2.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.531 1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C4'-C3' 108.021 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.048 0 O4'-C4'-C3' 107.726 2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 O4'-C4'-C3' 107.801 2.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.56 0 C4'-C3'-C2' 105.525 2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.744 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.752 0 C4'-C3'-C2' 104.933 1.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.744 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.094 1 O4'-C1'-N19 111.936 5.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.659 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.211 0 O4'-C4'-C3' 107.347 1.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.565 1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.763 0 C4'-C3'-C2' 104.949 1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.711 0 C4'-C3'-C2' 105.345 2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.118 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 C4'-C3'-C2' 105.16 1.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.776 0 O4'-C4'-C3' 107.532 1.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB3' " H5'" ' B' ' 206' ' ' ' DC' . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 2.9 tptm -125.55 125.63 43.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 77.49 9.87 2.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -130.33 58.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.259 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 58.18 82.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.216 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 25' ' ' ALA . 5.0 t -141.3 155.38 45.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -118.27 -50.27 2.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.078 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 35' ' ' GLU . 46.9 tp -124.79 95.74 4.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.987 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.6 p -62.08 -53.81 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.326 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.1 tp -38.75 -41.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB2' HD23 ' A' ' 32' ' ' LEU . 19.6 tp10 -66.03 -44.17 85.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.504 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB1' ' A' ' 25' ' ' ALA . 95.1 mt-10 -64.92 -41.76 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' NZ ' ' P ' ' B' ' 205' ' ' ' DA' . 17.8 ttmt -56.24 -47.89 77.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -44.06 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.511 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.8 mtpt -60.9 -39.81 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.327 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.27 -48.53 67.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.87 -30.77 71.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.322 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.457 HH21 ' HD3' ' A' ' 42' ' ' ARG . 27.2 mtm-85 -64.71 -18.01 64.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.4 mt -94.75 -37.64 11.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.4 t -63.49 -45.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -64.75 -41.56 92.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.979 0.419 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -66.16 -14.23 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.387 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -129.01 29.3 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 63.6 pttt -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.672 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -67.33 -41.76 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.33 116.52 3.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -151.82 133.83 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 54' ' ' ARG . 50.9 t -126.26 134.62 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.479 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -83.2 -21.01 33.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' H ' HG12 ' A' ' 52' ' ' VAL . 88.6 mtm180 -62.8 -43.3 99.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -152.06 119.39 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -63.83 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.0 m -55.26 -33.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.166 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -43.8 -26.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.733 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -79.07 -67.13 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 93.6 m-85 -56.75 -29.68 62.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.413 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -20.91 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -91.56 -35.74 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -47.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.681 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -16.28 64.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.45 -46.11 13.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.47 -19.47 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.649 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.63 -16.16 80.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 51.5 t80 -113.77 -6.95 13.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.479 -0.424 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.59 3.82 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.1 m-20 -143.47 -46.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.603 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 78.4 mm-40 -85.54 -21.26 28.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.52 32.41 81.58 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.722 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 17.1 tp -59.77 -59.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.692 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 156.1 -177.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.643 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 75' ' ' ILE . 20.4 tt -83.47 117.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.428 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' ND1' ' OP1' ' B' ' 207' ' ' ' DA' . 97.5 m-70 -134.84 139.51 45.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.8 p -85.15 169.53 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.452 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.89 -46.46 74.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.078 0.466 . . . . 0.0 110.288 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -55.94 -51.52 67.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' ' NE2' ' A' ' 84' ' ' GLN . . . -57.15 -28.09 62.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.496 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.8 t -71.84 -10.25 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.2 mtm-85 -105.7 -23.69 12.69 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 76.5 m-20 -85.58 -46.48 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.55 0.531 . . . . 0.0 110.66 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.638 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 3.9 pt20 -57.8 -60.9 2.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.66 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.638 ' H ' ' CG ' ' A' ' 84' ' ' GLN . 17.7 mt -55.15 -40.25 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -62.74 -44.88 99.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.359 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -58.29 -44.32 88.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.081 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 91' ' ' VAL . 97.1 mt -56.8 -28.28 27.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 CA-C-O 121.637 0.732 . . . . 0.0 110.204 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.5 mmm -70.09 -51.58 30.58 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.501 -0.749 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.467 HH22 ' C7 ' ' C' ' 218' ' ' ' DT' . 51.3 ttp180 -49.55 -41.87 42.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.811 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 11.6 m -68.58 -39.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.857 0.36 . . . . 0.0 110.985 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.5 t80 -63.05 -41.93 99.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 69.6 mm-40 -72.91 -36.78 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 19.7 mt-30 -65.19 -53.75 40.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -70.34 -10.71 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.481 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.7 tp -79.88 -35.76 37.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.021 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.26 -28.16 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.526 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 94' ' ' GLN . 69.6 m80 -71.77 124.25 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' GLN . 72.7 mtp180 -128.38 3.45 5.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.2 OUTLIER -36.87 155.45 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.98 157.38 60.15 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.873 2.382 . . . . 0.0 112.159 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.24 35.13 15.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttm -82.54 120.11 25.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -81.73 144.51 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.8 m -114.66 129.33 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.497 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -141.5 159.63 59.79 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.05 -37.55 3.42 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.714 2.276 . . . . 0.0 112.289 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.3 mp0 -67.76 -49.36 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.608 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.497 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.5 pt-20 -63.39 -34.37 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -65.75 -46.97 76.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -59.03 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.56 -44.07 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.63 -44.47 93.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.146 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.32 -46.45 88.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.51 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.04 -42.17 89.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.371 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.38 -40.9 98.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.44 -45.56 93.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.4 tt0 -62.64 -45.77 91.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.5 t-105 -64.41 -40.34 95.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.7 tttt -61.81 -37.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.68 90.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.706 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.719 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.12 -44.33 92.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.157 179.353 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 119' ' ' TRP . 81.7 mt -62.15 -39.27 92.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.832 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -68.06 -40.26 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.711 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.89 -41.69 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 96.2 mt -67.72 -35.3 78.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.503 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.89 -42.43 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.45 -36.96 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.22 -40.07 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -59.88 -43.65 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.3 -40.94 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.33 -41.81 98.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -100.67 120.27 39.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.0 mt -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C4'-C3' 107.805 2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.6 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.426 -1.824 0 C4'-C3'-C2' 105.265 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 107.275 1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.811 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 108.137 2.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.621 " H5'" ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.024 0 C4'-C3'-C2' 105.172 1.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.516 ' OP1' ' ND1' ' A' ' 76' ' ' HIS . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C4'-C3' 107.481 1.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.564 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.289 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.405 H2'' ' C8 ' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C4'-C3' 107.348 1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.405 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C4'-C3' 107.393 1.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.45 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.749 0 O4'-C4'-C3' 107.59 1.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.45 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 108.217 2.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-C2' 108.704 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.979 2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.425 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.318 0 C4'-C3'-C2' 105.178 1.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.856 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.748 0 C4'-C3'-C2' 105.074 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.856 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.03 1 O4'-C1'-N19 111.652 4.815 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.467 ' C7 ' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C4'-C3'-C2' 104.934 1.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.99 0 C4'-C3'-C2' 104.951 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.782 0 C4'-C3'-C2' 105.27 2.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.978 0 C4'-C3'-C2' 105.497 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.948 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.083 0 C4'-C3'-C2' 105.205 2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.6 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O4'-C4'-C3' 108.081 2.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.737 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 87.6 tttt -70.46 144.89 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . 87.37 -49.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.436 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -79.23 67.57 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.062 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 63.59 85.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.991 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -136.34 160.4 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.698 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -132.41 -42.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.384 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 tp -138.73 90.34 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.167 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' GLU . 78.9 p -61.96 -50.27 72.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' SER . 54.9 tp -38.32 -41.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.699 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -65.97 -44.3 85.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' SER . 95.5 mt-10 -64.73 -42.04 95.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.457 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' NZ ' ' P ' ' B' ' 205' ' ' ' DA' . 20.6 ttmt -56.07 -47.83 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.68 -43.83 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.469 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HG2' HH11 ' A' ' 42' ' ' ARG . 43.5 mtpt -61.12 -39.54 90.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.358 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.59 -48.59 66.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.801 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.9 mmm -66.78 -30.57 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.477 HH21 ' HD3' ' A' ' 42' ' ' ARG . 26.3 mtm-85 -64.89 -17.73 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.629 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.9 mt -95.18 -37.63 10.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.743 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.635 HG12 ' CE3' ' A' ' 119' ' ' TRP . 53.4 t -63.08 -46.11 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.89 -41.25 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.43 -13.97 61.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.396 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -129.24 29.48 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.7 pttt -70.94 -29.1 65.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 51' ' ' LEU . 16.2 m80 -63.76 -39.82 95.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.518 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -44.36 91.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' HIS . 44.7 tp -115.23 124.02 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.4 t -126.03 129.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.583 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' O ' ' O ' ' A' ' 54' ' ' ARG . 64.1 t0 -72.91 -41.18 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.705 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 53' ' ' ASP . 99.8 mtt180 -44.58 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.637 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -112.3 142.49 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.2 p -77.44 -21.53 52.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.514 ' HG ' ' CD ' ' A' ' 78' ' ' GLU . 38.8 t -59.98 -42.4 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.96 -25.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -79.1 -67.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' ' 82' ' ' ARG . 25.9 m-85 -56.59 -29.61 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.381 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.85 64.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -91.83 -35.73 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.56 -47.58 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -66.81 -16.2 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -82.77 -45.79 13.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.86 -19.26 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.67 -16.27 80.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 68' ' ' TYR . 50.2 t80 -113.66 -6.97 13.34 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.521 -0.399 . . . . 0.0 110.601 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.67 4.01 21.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.548 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.59 -46.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 76.7 mm-40 -84.86 -21.83 29.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.95 -46.67 1.57 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 121.201 -0.523 . . . . 0.0 111.878 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.599 ' CD2' HG23 ' A' ' 75' ' ' ILE . 9.4 tt -49.14 135.1 16.99 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.729 0.3 . . . . 0.0 110.891 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.28 126.76 40.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' CD2' ' A' ' 73' ' ' LEU . 1.1 pt -148.78 25.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.487 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.507 ' C ' HG22 ' A' ' 77' ' ' THR . 85.5 t60 -73.59 89.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.325 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.599 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.1 OUTLIER -158.99 0.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' CD ' ' HG ' ' A' ' 57' ' ' SER . 81.6 tt0 60.1 -69.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.096 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 77' ' ' THR . 40.4 t -52.21 -51.95 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.341 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.94 -27.91 61.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.478 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 5.2 m -72.2 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.483 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' NH1' ' OP2' ' C' ' 215' ' ' ' DT' . 35.1 mmm-85 -105.89 -23.48 12.67 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.532 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.601 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 88.7 m-20 -85.78 -46.28 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' NE2' ' C8 ' ' B' ' 207' ' ' ' DA' . 29.5 mm-40 -57.88 -61.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.07 -39.52 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -62.5 -45.26 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.0 t -58.21 -44.75 88.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.249 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 37' ' ' LYS . 96.2 mt -55.84 -29.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 90.1 mmm -68.43 -52.7 29.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.756 ' NH2' HE22 ' A' ' 94' ' ' GLN . 70.3 ttp85 -48.7 -41.87 33.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.3 t -68.75 -39.78 80.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.691 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 83.0 t80 -63.28 -41.28 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.1 mm-40 -73.49 -36.59 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.756 HE22 ' NH2' ' A' ' 90' ' ' ARG . 72.8 mt-30 -65.16 -53.99 36.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.786 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -70.34 -10.1 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.6 tp -80.78 -35.41 33.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.24 -28.3 29.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.471 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -53.23 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 43.06 85.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -137.2 154.12 75.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.63 156.77 62.78 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.872 2.382 . . . . 0.0 112.192 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.66 2.91 62.88 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 66.8 mtt -99.01 127.95 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.553 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -83.64 137.34 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.3 p -79.46 159.7 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -153.74 153.81 29.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.43 -37.77 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.852 2.368 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.424 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.0 mp0 -67.54 -49.63 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.661 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' CD ' ' OG1' ' A' ' 106' ' ' THR . 17.9 pt-20 -63.26 -33.97 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.36 -47.26 73.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.34 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.41 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.16 -44.01 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.24 -46.78 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.67 -42.26 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.416 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 97.7 m -63.32 -40.97 98.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.608 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -45.8 93.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 69.8 tt0 -62.4 -45.93 90.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.469 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.862 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.3 t-105 -64.56 -39.97 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 88.8 tttt -62.18 -37.33 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.424 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.93 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.645 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.3 -43.68 92.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.862 HD11 ' NE1' ' A' ' 119' ' ' TRP . 83.4 mt -62.47 -39.34 93.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.097 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.4 t -68.42 -40.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.83 -41.67 91.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD11 ' NH2' ' A' ' 122' ' ' ARG . 96.1 mt -68.07 -34.78 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.29 -42.43 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.685 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.36 -36.99 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -57.6 -39.36 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 133' ' ' PHE . 76.5 ttt180 -59.68 -43.7 93.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.58 -39.89 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.88 -41.88 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 130' ' ' ARG . 71.9 m-85 -98.45 143.13 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.6 mt -109.77 130.85 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.55 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.928 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.631 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 108.126 2.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.678 ' P ' ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 C5'--C4' 1.524 1.667 0 O4'-C4'-C3' 107.752 2.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.637 " C5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.091 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.524 ' C8 ' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C4'-C3' 107.363 1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.601 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.614 2.084 0 O4'-C4'-C3' 107.339 1.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.483 H2'' ' C8 ' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.037 0 O4'-C4'-C3' 107.639 2.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-C2' 108.146 1.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.401 " H2'" ' H72' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.221 0 O4'-C4'-C3' 107.455 1.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.401 ' H72' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C4'-C3' 108.172 2.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O4'-C4'-C3' 107.646 2.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C4'-C3' 107.954 2.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.572 ' OP2' ' NH1' ' A' ' 82' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.58 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.781 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.744 0 C4'-C3'-C2' 105.099 1.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.781 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.606 1 O4'-C1'-N19 112.333 5.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 107.62 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 C4'-C3'-C2' 104.965 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.959 0 C4'-C3'-C2' 105.037 1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.73 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 0 O4'-C4'-C3' 107.473 1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.944 0 C4'-C3'-C2' 104.946 1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.55 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C4'-C3' 107.686 2.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' N ' ' OE1' ' A' ' 36' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.686 ' NZ ' ' N3 ' ' B' ' 204' ' ' ' DA' . 57.9 tttt -27.05 143.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 29' ' ' ARG . . . 58.58 161.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 66.73 -33.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.5 mmt85 168.47 102.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG21 " H4'" ' C' ' 222' ' ' ' DT' . 5.2 t -149.9 166.35 29.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -123.97 -78.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' OG ' ' A' ' 33' ' ' SER . 5.9 tp -106.79 -29.86 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.655 ' OG ' ' N ' ' A' ' 34' ' ' LEU . 6.2 p 76.97 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 ' N ' ' OG ' ' A' ' 33' ' ' SER . 55.4 tp -38.23 -41.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.89 -44.46 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 25' ' ' ALA . 99.2 mt-10 -64.62 -42.33 95.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.752 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 4.3 mtmt -55.37 -48.3 74.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.54 -43.89 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -60.95 -39.39 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.9 tp -67.87 -48.85 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 88.0 mmm -66.96 -30.07 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -65.06 -17.49 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 43' ' ' LEU . 15.5 mt -95.82 -37.25 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.633 HG12 ' CE3' ' A' ' 119' ' ' TRP . 49.1 t -63.04 -46.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.25 -40.78 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -66.47 -13.84 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -129.54 29.69 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 122' ' ' ARG . 61.4 pttt -71.18 -29.0 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -63.73 -39.02 93.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -48.28 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -112.94 127.0 56.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 55' ' ' LYS . 42.4 t -123.56 133.32 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.571 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 53' ' ' ASP . 66.9 t0 -103.33 -33.7 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -63.3 -47.03 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 54.9 mtpt -143.91 113.22 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.8 m -61.96 -41.76 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' PHE . 58.6 m -55.19 -34.22 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -43.45 -25.83 0.17 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.592 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' SER . 49.6 t80 -79.21 -67.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 74.6 m-85 -56.31 -29.57 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.88 -20.5 64.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -92.21 -35.46 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 63' ' ' ILE . 42.5 mm -62.19 -48.2 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.576 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.84 -15.75 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -83.2 -45.61 13.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.18 -18.94 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.68 -16.31 80.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 74' ' ' ALA . 52.9 t80 -113.79 -6.8 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.74 4.14 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.9 m-20 -143.71 -46.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -85.23 -21.41 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.26 95.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -124.04 -73.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -147.87 -111.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.3 mm -113.56 144.6 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.601 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -90.94 127.63 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.86 ' OG1' ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -139.31 172.94 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 58.4 mp0 -96.73 -60.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.58 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 t -54.04 -53.04 58.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.86 ' HB3' ' OG1' ' A' ' 77' ' ' THR . . . -56.69 -27.91 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 16.5 t -72.38 -9.8 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 25.7 mmm-85 -105.95 -23.51 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.651 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 79.1 m-20 -86.11 -46.2 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.557 ' NE2' ' OP2' ' B' ' 207' ' ' ' DA' . 78.3 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.85 -39.33 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 1.2 mt -63.25 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.4 t -57.74 -45.36 85.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.952 ' O ' HG22 ' A' ' 91' ' ' VAL . 82.1 mt -55.63 -29.83 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.1 mmm -68.24 -53.46 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -47.99 -41.98 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 88' ' ' ILE . 1.9 m -69.5 -38.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.645 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.73 -40.8 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.95 -36.33 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.18 -54.23 32.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.565 ' HE ' H5'' ' B' ' 204' ' ' ' DA' . 82.5 mtt-85 -70.35 -9.61 56.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 40.0 tp -81.76 -34.71 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -75.89 131.35 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -141.48 144.37 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.44 130.64 1.93 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.39 156.75 50.19 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.844 2.362 . . . . 0.0 112.107 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.85 17.91 69.07 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 98.6 mmm -98.17 136.78 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -91.17 128.18 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 p -87.52 166.96 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.504 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -139.78 159.58 64.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -72.41 -37.74 4.08 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.658 2.239 . . . . 0.0 112.106 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.6 mp0 -67.5 -49.81 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.6 pt-20 -63.51 -33.41 75.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 54.9 m-20 -66.54 -47.44 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.1 -52.27 66.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.6 -44.22 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -59.33 -44.85 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.11 -47.13 86.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.01 -42.56 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.4 m -63.33 -41.12 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.19 -45.95 92.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 68.8 tt0 -62.05 -46.14 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.864 ' NE1' HD11 ' A' ' 123' ' ' LEU . 62.9 t-105 -64.74 -39.87 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.13 -37.18 84.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.11 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.648 ' NE ' ' CZ3' ' A' ' 119' ' ' TRP . 0.3 OUTLIER -59.91 -42.66 94.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.864 HD11 ' NE1' ' A' ' 119' ' ' TRP . 85.1 mt -62.69 -39.29 93.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.8 t -68.89 -39.85 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.75 -41.66 91.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.47 -34.24 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.59 -42.44 86.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.23 -37.09 71.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -66.28 -39.13 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -61.38 -41.37 97.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.8 -35.07 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.533 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -63.55 -42.85 98.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.58 145.79 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.514 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C4'-C3' 107.727 2.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.627 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.91 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.686 ' N3 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C4'-C3' 107.804 2.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.858 ' OP2' HG21 ' A' ' 91' ' ' VAL . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.822 2.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.567 " H5'" ' H ' ' A' ' 26' ' ' LYS . . . . . . . . 0 O4'--C1' 1.386 -2.632 0 O4'-C4'-C3' 107.699 2.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.557 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.847 0 O4'-C4'-C3' 107.786 2.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.651 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 107.758 2.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C4'-C3' 107.775 2.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.402 ' C8 ' H2'' ' B' ' 209' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C1'-C2' 108.574 2.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.518 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.829 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.518 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.358 -4.752 0 O4'-C4'-C3' 107.569 1.969 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.737 2.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . 0.437 H2'' ' C8 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.378 -3.196 0 O4'-C1'-C2' 108.536 2.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.769 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.849 0 O4'-C4'-C3' 107.704 2.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.769 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.443 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.765 2.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.393 -2.099 0 O4'-C4'-C3' 107.759 2.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.811 0 O4'-C4'-C3' 107.769 2.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.406 " H4'" HG21 ' A' ' 30' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 107.803 2.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.795 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.39 -2.273 0 O4'-C1'-N19 109.456 2.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.603 ' N ' ' O2 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' O ' ' C ' ' A' ' 27' ' ' ALA . 26.2 ttmt -58.94 134.38 56.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' H ' " H4'" ' B' ' 206' ' ' ' DC' . . . 18.87 97.31 0.0 OUTLIER 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' ALA . 77.4 mt-30 -24.94 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.407 0.442 . . . . 0.0 110.602 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' ALA . 99.7 mtt180 -149.32 125.52 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.586 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 9.3 t -168.74 176.96 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -123.15 -35.66 2.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.134 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 32' ' ' LEU . 53.3 tp -138.41 90.76 2.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.498 ' C ' ' HE3' ' A' ' 37' ' ' LYS . 1.5 m -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 108' ' ' GLU . 55.0 tp -38.55 -40.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.43 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.98 -44.29 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.467 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' SER . 96.9 mt-10 -64.77 -41.99 95.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' H5'' ' B' ' 205' ' ' ' DA' . 15.2 mtmt -56.09 -47.73 77.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.62 -43.81 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.914 0.387 . . . . 0.0 110.649 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -61.12 -39.61 90.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.374 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.5 -48.65 66.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.94 -30.45 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -64.95 -17.71 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 43' ' ' LEU . 18.5 mt -95.22 -37.65 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.731 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG12 ' CE3' ' A' ' 119' ' ' TRP . 55.5 t -63.22 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.79 -41.34 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -66.38 -14.09 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.378 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -129.29 29.58 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 122' ' ' ARG . 64.1 pttt -71.13 -29.16 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.619 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.37 116.24 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -153.3 140.91 19.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 54' ' ' ARG . 41.7 t -129.05 155.91 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 65.9 t0 -97.84 -21.36 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.804 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.654 ' H ' HG12 ' A' ' 52' ' ' VAL . 91.1 mtm-85 -57.82 -45.46 86.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -154.45 128.09 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 m -62.97 -43.77 97.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.583 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.449 ' HA ' HH11 ' A' ' 82' ' ' ARG . 36.0 t -57.48 -28.54 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.565 ' OE1' HG11 ' A' ' 52' ' ' VAL . 85.0 tt0 -44.22 -26.15 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.609 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -79.25 -67.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . 76.4 m-85 -56.63 -29.48 62.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -20.79 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -91.91 -35.65 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 63' ' ' ILE . 41.0 mm -62.62 -47.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.95 -16.04 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -82.8 -45.79 13.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.79 -19.24 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . -77.69 -16.35 80.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 91.2 t80 -113.71 -6.85 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.4 mt-10 -109.7 4.03 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 97.8 m-20 -143.58 -46.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 67' ' ' GLY . 68.2 mm-40 -85.17 -21.49 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.6 91.39 0.01 OUTLIER Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -113.56 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.14 179.289 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . -173.45 -128.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.83 129.0 65.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.458 ' NE2' HD13 ' A' ' 73' ' ' LEU . 97.5 m-70 -142.04 156.92 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' A' ' 80' ' ' ALA . 1.4 p -133.85 162.27 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -43.37 -56.7 3.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.132 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.0 t -54.45 -51.92 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.305 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.79 ' HB1' ' NE2' ' A' ' 84' ' ' GLN . . . -56.95 -27.92 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.617 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 60' ' ' TYR . 13.3 t -72.17 -9.91 59.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 95.6 mtt180 -105.78 -23.78 12.64 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.697 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 59.4 m-20 -85.72 -46.4 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.79 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -57.86 -61.46 2.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.44 -39.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -62.34 -45.38 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.963 179.241 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.607 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.3 t -58.06 -44.82 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.841 ' O ' HG22 ' A' ' 91' ' ' VAL . 80.9 mt -55.75 -29.85 26.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.573 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 98.2 mmm -68.42 -52.82 28.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.597 HH22 ' H71' ' C' ' 218' ' ' ' DT' . 55.8 ttp180 -48.63 -41.74 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.959 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 0.9 OUTLIER -69.17 -39.34 79.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.904 0.383 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 83.2 t80 -63.43 -41.34 98.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.317 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -73.57 -36.52 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.28 -53.91 37.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.406 ' NH1' H5'' ' B' ' 204' ' ' ' DA' . 88.7 mtt180 -70.45 -9.95 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 41.3 tp -80.86 -35.37 32.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.37 -28.12 29.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.475 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.3 m80 -47.86 -56.77 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 98' ' ' HIS . 82.8 mtp180 33.58 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' HIS . 78.8 mt-30 -70.43 149.72 95.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.95 154.31 63.1 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.801 2.334 . . . . 0.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.84 75.05 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.3 ttm -84.37 126.23 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.2 151.29 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.8 p -127.7 152.99 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.93 167.5 12.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.453 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.01 -37.78 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.047 1.831 . . . . 0.0 112.1 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.55 -49.74 61.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.48 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.37 -51.81 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 tp -53.36 -43.83 68.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -59.34 -44.69 92.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.638 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.21 -46.78 87.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.71 -42.27 88.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.317 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.31 -45.7 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -62.41 -45.84 91.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.6 t-105 -64.65 -40.04 94.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.508 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.09 -37.38 84.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -60.01 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 119' ' ' TRP . 91.2 mt -62.53 -39.51 93.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.3 t -68.45 -40.2 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -59.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.26 -42.4 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.665 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.21 -37.35 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -65.89 -38.03 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.52 -42.43 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 134' ' ' LEU . 97.4 mt-10 -62.57 -35.37 79.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.51 -43.84 96.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.78 -45.15 91.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 131' ' ' GLU . 88.3 mt -113.86 125.5 54.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 0 O4'-C4'-C3' 107.69 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.562 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C1'-O4'-C4' 107.382 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C4'-C3' 108.029 2.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.41 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.959 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.421 -2.306 0 O4'-C4'-C3' 107.827 2.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.618 " H4'" ' H ' ' A' ' 27' ' ' ALA . . . . . . . . 0 P--O5' 1.614 2.126 0 C4'-C3'-C2' 105.051 1.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.561 ' OP2' ' NE2' ' A' ' 84' ' ' GLN . . . . . . . . 0 C5'--C4' 1.525 1.792 0 O4'-C4'-C3' 107.696 2.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.697 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 105.14 1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.063 0 C4'-C3'-C2' 105.121 1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.575 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.248 0 O4'-C4'-C3' 107.591 1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.651 0 O4'-C4'-C3' 108.133 2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.047 0 O4'-C4'-C3' 107.793 2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.934 2.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.188 0 O4'-C4'-C3' 107.587 1.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 217' ' ' ' DT' . . . . . . . . 0 P--O5' 1.615 2.166 0 C4'-C3'-C2' 104.891 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.65 ' C2 ' ' C2 ' ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.619 2.555 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.597 ' H71' HH22 ' A' ' 90' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.825 2.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.724 0 C4'-C3'-C2' 105.242 2.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . 0.491 ' O2 ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 P--O5' 1.613 1.966 0 C4'-C3'-C2' 105.072 1.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.924 0 C4'-C3'-C2' 105.186 1.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.537 1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.474 ' OP1' ' O ' ' A' ' 30' ' ' THR . . . . . . . . 0 P--O5' 1.611 1.811 0 C4'-C3'-C2' 104.956 1.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.562 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.945 0 O4'-C4'-C3' 107.767 2.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.109 ' N ' ' HG ' ' A' ' 33' ' ' SER . . . . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -65.25 -154.34 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.066 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 150.14 -166.38 0.0 OUTLIER 'General case' 0 C--N 1.346 0.438 0 O-C-N 124.367 1.042 . . . . 0.0 110.869 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -90.86 -11.31 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.054 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -176.63 99.56 0.06 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -142.69 173.19 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.692 ' C ' HD22 ' A' ' 32' ' ' LEU . 74.1 m80 -114.22 -48.98 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD22 ' C ' ' A' ' 31' ' ' HIS . 4.5 mm? -115.95 133.09 56.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.618 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 1.109 ' HG ' ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -111.83 -65.84 1.14 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.985 179.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.639 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 56.6 tp -37.88 -41.21 0.51 Allowed 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 123.841 0.713 . . . . 0.0 110.897 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.99 -44.35 85.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.079 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' SER . 76.0 mt-10 -65.27 -40.99 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.671 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HD3' ' OP1' ' B' ' 205' ' ' ' DA' . 25.4 mttt -57.15 -47.31 81.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.979 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.77 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG2' HH11 ' A' ' 42' ' ' ARG . 45.0 mtpt -60.92 -40.11 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.319 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.07 -48.4 68.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.995 0.426 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 87.7 mmm -66.82 -30.94 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.356 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 39' ' ' LYS . 30.1 mtm-85 -64.51 -18.31 64.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.693 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.7 mt -94.51 -37.44 11.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 ' CE3' ' A' ' 119' ' ' TRP . 51.9 t -63.15 -46.1 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -41.79 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -65.72 -14.69 61.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.549 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -128.63 29.33 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' A' ' 118' ' ' GLU . 64.1 pttt -70.57 -29.53 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.842 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.17 99.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 122' ' ' ARG . 79.6 mt -113.48 134.59 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 55' ' ' LYS . 75.5 t -124.98 134.67 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 68.0 t0 -95.21 -29.32 14.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.432 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.99 -45.71 92.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.775 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.647 ' H ' HG12 ' A' ' 52' ' ' VAL . 78.2 tttt -162.78 134.61 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.6 p -66.77 -26.19 66.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.466 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.464 ' OG ' ' CD ' ' A' ' 78' ' ' GLU . 47.3 t -61.19 -40.7 94.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.587 ' OE1' HG11 ' A' ' 52' ' ' VAL . 83.8 tt0 -43.3 -26.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.607 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -79.07 -66.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.27 64.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.627 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -91.41 -35.56 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.686 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.97 -46.77 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.629 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . . . -67.31 -16.67 64.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -81.93 -46.23 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.39 -19.6 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.626 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.51 -16.14 80.63 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 34.2 t80 -113.75 -7.06 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.505 -0.409 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 97.5 mt-10 -109.45 3.73 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 69' ' ' GLU . 98.2 m-20 -143.3 -46.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -85.36 -21.42 28.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.82 45.01 91.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.2 tt -63.05 -46.32 88.04 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 73' ' ' LEU . . . 153.29 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.432 0.457 . . . . 0.0 110.52 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 96.0 mt -134.26 130.91 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.704 ' CE1' HE22 ' A' ' 84' ' ' GLN . 1.1 m-70 -140.34 166.16 25.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.608 ' O ' ' SG ' ' A' ' 81' ' ' CYS . 0.9 OUTLIER -144.26 150.42 37.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' OG ' ' A' ' 57' ' ' SER . 80.4 tt0 -30.86 -62.45 0.17 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.471 0.482 . . . . 0.0 111.057 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' HE ' ' A' ' 82' ' ' ARG . 41.2 t -55.32 -51.41 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.038 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' H ' HG23 ' A' ' 77' ' ' THR . . . -57.94 -27.7 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.004 0.431 . . . . 0.0 110.211 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 7.1 m -72.15 -10.32 59.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 79' ' ' SER . 89.2 mtm180 -105.31 -23.65 12.83 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.601 ' CG ' ' H62' ' B' ' 208' ' ' ' DA' . 65.8 m-20 -85.68 -46.29 10.87 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.413 0.445 . . . . 0.0 110.707 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.704 HE22 ' CE1' ' A' ' 76' ' ' HIS . 37.0 mt-30 -58.02 -60.59 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 90.0 mt -55.94 -39.67 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -62.96 -44.67 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.428 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.1 t -58.24 -44.39 88.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.287 -178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 91' ' ' VAL . 96.5 mt -56.26 -29.05 27.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.213 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 86' ' ' ILE . 89.4 mmm -69.78 -50.75 40.11 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.957 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.757 HH21 HE22 ' A' ' 94' ' ' GLN . 69.9 ttp85 -49.96 -41.85 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.212 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.935 HG11 ' OP2' ' B' ' 205' ' ' ' DA' . 0.8 OUTLIER -68.61 -39.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.03 0.443 . . . . 0.0 110.671 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.466 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 84.2 t80 -62.72 -42.47 99.67 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.096 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -72.35 -36.99 68.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.757 HE22 HH21 ' A' ' 90' ' ' ARG . 73.8 mt-30 -65.0 -53.54 44.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.564 ' NE ' ' OP1' ' B' ' 204' ' ' ' DA' . 90.2 mtt-85 -70.63 -10.65 59.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 42.1 tp -79.79 -35.94 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.18 29.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -74.0 127.03 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -142.4 148.79 38.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.412 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 169.96 142.47 0.08 OUTLIER Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.71 160.22 48.69 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.782 2.321 . . . . 0.0 112.199 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.55 2.27 60.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 67.1 mtt -98.01 128.89 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.532 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -87.77 133.69 33.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 p -85.4 165.24 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.492 ' OG1' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -146.85 159.0 44.71 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.57 -37.71 3.9 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.504 2.136 . . . . 0.0 112.308 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 34' ' ' LEU . 56.5 mp0 -67.82 -49.23 63.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.675 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' OE1' ' OG1' ' A' ' 106' ' ' THR . 18.4 pt-20 -63.55 -34.17 77.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.14 -47.01 75.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.87 -50.72 72.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.683 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.49 -43.47 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -59.67 -44.29 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -62.77 -45.68 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.87 -41.76 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 96.9 m -63.59 -40.77 97.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.518 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -61.48 -45.45 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 70.6 tt0 -62.8 -45.7 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.445 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.858 ' NE1' HD11 ' A' ' 123' ' ' LEU . 63.0 t-105 -64.51 -40.22 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.86 -37.71 85.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.768 ' NH2' ' CH2' ' A' ' 119' ' ' TRP . 0.0 OUTLIER -59.24 -44.72 92.34 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.071 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.858 HD11 ' NE1' ' A' ' 119' ' ' TRP . 84.7 mt -61.18 -40.05 92.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 -178.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.3 t -67.26 -40.63 86.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.861 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -59.68 -41.87 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.457 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 126' ' ' LEU . 98.3 mt -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.623 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.57 -42.3 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -37.62 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -66.63 -38.04 86.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.607 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 133' ' ' PHE . 71.8 ttp85 -61.18 -42.11 97.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.99 -39.25 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.64 -44.14 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.7 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 130' ' ' ARG . 97.5 m-85 -134.73 144.0 47.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 99.0 mt -74.62 141.47 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.842 2.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' C' ' 224' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.524 1.65 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C4'-C3' 107.32 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . 0.564 ' OP1' ' NE ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.06 0 O4'-C4'-C3' 107.576 1.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' ' DA' . . . . . 0.935 ' OP2' HG11 ' A' ' 91' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -2.958 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . 0.682 ' P ' HE21 ' A' ' 84' ' ' GLN . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C4'-C3' 107.892 2.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ' DA' . . . . . 0.454 ' N6 ' ' C4 ' ' B' ' 206' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.601 ' H62' ' CG ' ' A' ' 83' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.141 0 C4'-C3'-C2' 105.114 1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ' DT' . . . . . 0.404 ' C2 ' ' C2 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C4'-C3' 107.669 2.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 0 O4'-C4'-C3' 107.673 2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ' DT' . . . . . 0.556 " H2'" ' H71' ' B' ' 212' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.751 0 O4'-C4'-C3' 107.659 2.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ' DT' . . . . . 0.556 ' H71' " H2'" ' B' ' 211' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O4'-C1'-C2' 108.326 2.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 213' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.976 0 O4'-C4'-C3' 107.837 2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.549 0 O4'-C4'-C3' 108.046 2.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.491 0 O4'-C4'-C3' 107.694 2.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 216' ' ' ' DA' . . . . . 0.657 " H1'" " O4'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 217' ' ' ' DT' . . . . . 0.657 " O4'" " H1'" ' C' ' 216' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.778 1 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 218' ' ' ' DT' . . . . . 0.423 ' H72' " H2'" ' C' ' 217' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.199 0 O4'-C4'-C3' 107.564 1.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 219' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 107.507 1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 0 C4'-C3'-C2' 105.248 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 C4'-C3'-C2' 105.324 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 222' ' ' ' DT' . . . . . 0.517 ' O2 ' ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C4'-C3' 107.497 1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.559 " O4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.923 0 C4'-C3'-C2' 105.122 1.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 224' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 202' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.888 2.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_