data_2fyl_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 2fyl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.901 -0.48 . . . . 8.24 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.93 -33.16 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.38 . . . . 7.2 110.471 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -55.41 4.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.935 -0.765 . . . . 7.53 108.935 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -95.45 86.66 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.434 -0.803 . . . . 8.45 110.268 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.76 26.83 5.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.055 0.455 . . . . 7.71 109.98 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.513 ' SD ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -133.7 124.4 26.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 3.81 110.6 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.54 -23.42 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.526 0.565 . . . . 2.77 112.526 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HE3' ' SD ' ' A' ' 22' ' ' MET . 13.1 ptpt -58.53 -46.63 86.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 3.27 110.555 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.27 -36.61 58.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.127 -0.488 . . . . 2.36 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 86.6 m-20 -57.78 -51.37 69.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 2.46 112.052 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.78 -33.59 75.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.19 0.441 . . . . 2.55 112.19 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.96 -39.58 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.511 -0.476 . . . . 2.38 110.732 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -61.58 -46.36 90.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 1.32 111.207 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 5.8 pt-20 -72.01 -30.31 65.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 1.67 111.418 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 63.2 tttp -57.86 -44.44 86.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.882 0.372 . . . . 2.45 110.034 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.15 96.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.841 -0.618 . . . . 1.95 110.46 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 30' ' ' GLU . 45.0 mt-30 -67.89 -37.21 81.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 1.58 110.826 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.12 -23.0 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 6.26 110.838 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 82.2 mt -87.3 -7.03 58.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.723 -0.473 . . . . 1.88 109.723 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 70.88 106.68 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.982 -1.008 . . . . 2.23 112.106 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -141.73 146.79 42.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.85 . . . . 2.24 109.842 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.37 155.07 68.27 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.492 2.128 . . . . 1.94 112.627 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.71 -38.02 84.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.461 2.774 . . . . 1.85 113.096 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.99 -32.57 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.101 0.476 . . . . 2.62 110.918 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -39.89 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 3.18 109.913 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.13 -35.71 81.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.737 . . . . 1.97 110.594 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.61 -51.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 1.93 110.537 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 2.56 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.86 -44.25 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 1.88 110.662 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -61.13 -39.31 89.55 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.8 -0.444 . . . . 1.72 109.8 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -66.37 -46.43 76.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 1.52 110.063 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -61.0 -40.46 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 1.18 110.631 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.87 -38.66 89.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.641 . . . . 1.93 110.668 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -63.02 -34.31 77.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.979 0.419 . . . . 2.32 110.645 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 47' ' ' ALA . 25.5 mm -68.03 -35.74 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.94 -0.573 . . . . 1.64 109.844 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -77.98 -41.41 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 2.66 110.353 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.47 -61.9 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.746 -0.661 . . . . 1.79 111.353 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -61.17 -36.0 78.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.72 -0.673 . . . . 4.76 111.204 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.64 -48.0 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 2.1 111.358 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.31 -41.68 96.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 2.35 110.396 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.89 -42.31 99.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 2.55 110.189 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.81 -44.43 77.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 2.33 110.193 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -60.3 -35.3 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.818 -0.628 . . . . 2.73 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' B' ' 28' ' ' ASP . 0.0 OUTLIER -60.39 -50.24 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 3.72 110.298 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -66.17 -38.08 87.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 3.4 109.495 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.87 -49.99 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.475 -0.784 . . . . 3.04 110.392 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.93 -43.24 81.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.03 -0.532 . . . . 5.85 111.159 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -37.03 86.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.357 0.599 . . . . 3.66 110.032 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -21.43 60.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.532 -0.758 . . . . 3.52 110.464 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.65 31.45 10.24 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.767 -0.651 . . . . 2.81 112.287 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -86.44 -32.94 20.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.994 0.368 . . . . 3.39 111.994 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 22.8 t70 -136.32 107.72 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.785 0.326 . . . . 2.44 110.687 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -120.13 -20.11 7.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 4.01 110.529 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -81.61 -20.11 40.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 3.95 110.654 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.1 40.39 7.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.891 -0.671 . . . . 2.45 112.546 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -80.81 -44.96 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.798 0.332 . . . . 3.01 110.372 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 24.8 mmtm -62.55 -41.21 98.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 3.21 110.418 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 78' ' ' ILE . 43.8 tt0 -69.05 -34.93 75.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.786 -0.366 . . . . 2.9 110.394 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.96 86.15 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.301 -0.629 . . . . 2.35 109.301 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -65.98 -39.98 90.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.915 -1.039 . . . . 2.16 109.121 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -62.15 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.36 -0.836 . . . . 2.22 110.37 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 74' ' ' GLU . 77.8 mt -59.96 -41.88 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.23 -0.441 . . . . 2.78 110.46 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -61.15 -42.65 98.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.066 0.46 . . . . 3.79 109.903 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -68.58 -36.45 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 2.5 109.847 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.66 -34.44 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 2.75 110.203 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.5 -41.46 94.34 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.14 -0.689 . . . . 4.01 109.14 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.72 -43.52 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.711 -0.677 . . . . 2.74 109.588 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.62 -45.39 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.542 -0.754 . . . . 1.68 110.828 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.66 -37.23 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.286 -0.416 . . . . 2.62 111.124 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.87 -8.46 59.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.983 0.42 . . . . 2.94 111.049 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -101.95 -40.12 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 2.52 111.906 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -112.21 -17.91 12.67 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.573 0.582 . . . . 1.69 112.573 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.7 62.63 5.87 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.171 -0.537 . . . . 1.95 112.8 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -107.38 29.72 6.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.552 0.575 . . . . 2.12 112.552 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -88.79 174.77 7.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.064 -0.347 . . . . 5.14 110.064 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.05 119.97 0.93 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.686 -0.768 . . . . 4.05 112.134 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HZ3' ' HB2' ' B' ' 68' ' ' ASP . 64.4 tttt 52.96 52.02 14.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.171 0.51 . . . . 6.08 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 97' ' ' ARG . 5.5 pttm -61.22 -25.0 66.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 7.12 111.19 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.21 -58.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 9.92 109.224 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.41 -42.89 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.741 -0.663 . . . . 10.05 109.724 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.92 -1.038 . . . . 12.6 109.502 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.158 -0.312 . . . . 5.41 110.158 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 -54.12 6.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.004 0.43 . . . . 4.45 110.202 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 8.92 111.002 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.88 -9.34 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.965 0.728 . . . . 4.78 112.965 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.662 ' SG ' ' HG3' ' B' ' 9' ' ' GLN . 0.5 OUTLIER 70.4 148.94 0.12 Allowed Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 123.369 0.418 . . . . 3.44 110.94 -179.709 -141.091 85.128 126.245 104.855 2.031 103.512 -74.485 -92.57 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' B' ' 5' ' ' CYS . 48.9 Cg_exo -55.53 157.33 15.42 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.956 2.437 . . . . 4.69 112.562 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.81 -19.98 49.54 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.49 2.793 . . . . 5.29 114.069 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -12.65 60.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.484 0.659 . . . . 5.45 110.098 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.662 ' HG3' ' SG ' ' B' ' 5' ' ' CYS . 0.0 OUTLIER -134.92 -162.73 1.29 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.447 -0.797 . . . . 4.48 109.124 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -153.55 162.06 41.62 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.577 -0.527 . . . . 2.41 109.577 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' B' ' 16' ' ' ARG . 57.3 p -106.79 122.41 46.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 112.025 0.38 . . . . 2.93 112.025 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' B' ' 16' ' ' ARG . 0.5 OUTLIER -68.01 174.22 3.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.137 -0.69 . . . . 3.18 109.137 178.112 154.14 132.919 -122.606 104.905 2.036 104.711 95.491 55.658 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.527 ' N ' ' SG ' ' B' ' 12' ' ' CYS . . . -24.77 -71.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.75 1.759 . . . . 3.85 115.75 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -80.76 34.4 0.34 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 114.114 1.153 . . . . 5.53 114.114 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.96 39.47 89.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.541 -0.838 . . . . 3.84 112.557 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' B' ' 12' ' ' CYS . 10.2 mtp180 -84.89 -156.31 0.24 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.44 -0.578 . . . . 6.01 109.44 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.77 123.52 11.9 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.17 0.51 . . . . 3.75 111.201 -179.123 -92.57 -74.485 126.245 103.512 2.031 104.855 85.128 -141.091 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.551 HD13 ' O ' ' B' ' 19' ' ' PRO . 1.3 pp -142.25 146.74 40.86 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 108.001 -1.111 . . . . 3.02 108.001 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.551 ' O ' HD13 ' B' ' 18' ' ' ILE . 31.1 Cg_exo -60.49 141.93 96.69 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.997 1.798 . . . . 4.04 112.024 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.54 -41.64 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 112.311 0.485 . . . . 3.99 112.311 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -3.5 3.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.918 1.081 . . . . 3.43 113.918 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TRP . . . . . 0.432 ' HB2' ' CD1' ' B' ' 18' ' ' ILE . 27.0 m0 -93.89 -17.47 22.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.029 -0.42 . . . . 3.94 112.04 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.0 p -58.39 -99.51 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.115 0.483 . . . . 2.21 110.931 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.07 94.23 8.79 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.295 -0.866 . . . . 2.77 109.578 179.308 -92.804 -170.775 -92.206 102.816 2.023 102.953 -98.222 69.547 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.6 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 12.6 p-10 -140.71 -52.12 0.47 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.819 -0.352 . . . . 3.78 111.54 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' B' ' 25' ' ' ASP . 6.8 tp 161.62 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 124.222 0.951 . . . . 4.7 109.241 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.32 135.89 39.28 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.669 0.747 . . . . 3.6 111.367 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -84.59 100.58 11.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.146 -1.388 . . . . 4.27 111.778 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.68 ' HB2' ' OD2' ' B' ' 35' ' ' ASP . 4.3 m-20 -96.32 -108.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.664 -0.495 . . . . 2.68 109.664 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.488 ' HA ' ' C ' ' B' ' 33' ' ' ARG . 22.0 p -169.62 30.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.366 1.247 . . . . 2.52 114.366 179.294 55.658 95.491 -122.606 104.711 2.036 104.905 132.919 154.14 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.458 ' HA3' ' HB3' ' B' ' 35' ' ' ASP . . . -51.48 -55.52 19.44 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.449 -0.882 . . . . 2.47 111.501 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.659 ' O ' ' HG3' ' B' ' 33' ' ' ARG . 13.5 p-10 -104.49 -43.07 5.27 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.135 -1.802 . . . . 3.08 106.135 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 20.5 mtt85 -158.65 -42.13 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 112.933 -1.939 . . . . 4.53 107.574 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -148.44 7.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.639 -1.164 . . . . 4.1 110.551 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' B' ' 29' ' ' ASP . 0.9 OUTLIER 40.89 31.85 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.266 1.026 . . . . 3.16 113.446 -178.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -118.15 110.74 17.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 110.04 -0.356 . . . . 3.28 110.04 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' B' ' 42' ' ' TYR . 11.0 m 81.8 -55.04 0.25 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.232 -0.894 . . . . 3.5 111.575 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.89 0.52 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.375 0.607 . . . . 3.86 112.079 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.8 -64.18 0.35 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 3.79 110.014 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.47 4.4 51.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 3.0 111.667 -179.441 69.547 -98.222 -92.206 102.953 2.023 102.816 -170.775 -92.804 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . 72.07 -2.11 2.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.085 0.554 . . . . 2.9 110.84 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' B' ' 45' ' ' CYS . 0.1 OUTLIER 55.2 73.29 0.89 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 5.67 113.125 179.073 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.85 90.48 1.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.651 2.234 . . . . 2.94 109.402 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.514 ' O ' HG21 ' B' ' 44' ' ' THR . 23.3 m 62.88 42.1 8.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 122.174 0.988 . . . . 3.49 108.483 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.461 ' HA ' ' CD2' ' B' ' 42' ' ' TYR . 60.0 m 68.55 -71.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.239 -1.346 . . . . 2.98 110.792 -178.97 -55.525 147.155 52.406 104.603 2.033 103.632 150.678 -38.66 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.61 ' CE1' ' HG3' ' B' ' 50' ' ' GLN . 0.1 OUTLIER -169.22 107.84 0.48 Allowed Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 5.53 110.636 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -85.02 45.21 1.58 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.776 2.317 . . . . 3.92 112.586 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.32 -62.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.242 0.544 . . . . 4.78 111.041 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.423 ' C ' ' HB ' ' B' ' 61' ' ' ILE . 1.1 p -144.51 75.09 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.257 -1.386 . . . . 2.88 107.257 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.61 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 5.5 tt0 -122.61 147.26 46.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.613 1.338 . . . . 3.72 114.613 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PHE . . . . . 0.472 ' CD2' HD13 ' B' ' 59' ' ' ILE . 50.8 t80 -123.81 157.09 34.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.784 -1.932 . . . . 3.11 105.784 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -104.33 106.77 17.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.413 0.551 . . . . 2.94 111.934 -177.378 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.595 ' HA ' ' CB ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -72.14 -164.16 0.13 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.119 0.785 . . . . 2.53 113.119 179.532 -123.914 -56.336 70.929 104.604 2.032 104.171 150.152 -99.732 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -29.72 98.86 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 115.366 1.617 . . . . 5.55 115.366 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 58.81 34.57 23.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.963 -1.472 . . . . 3.96 114.783 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.89 7.6 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 119.574 -1.298 . . . . 2.59 115.284 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' B' ' 52' ' ' THR . 53.0 mtt180 -85.96 175.98 8.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.808 0.804 . . . . 3.02 109.367 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 3.6 m -118.12 119.07 33.63 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.278 -0.569 . . . . 1.97 111.254 -179.919 -38.66 150.678 52.406 103.632 2.033 104.603 147.155 -55.525 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.574 HG23 ' SG ' ' B' ' 53' ' ' CYS . 11.2 pt -130.21 171.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.556 -0.535 . . . . 2.59 109.556 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' B' ' 63' ' ' TRP . 37.2 t-20 -61.13 132.97 55.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.436 -0.579 . . . . 2.37 109.436 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.453 ' O ' HD12 ' B' ' 61' ' ' ILE . 0.0 OUTLIER -63.24 -23.86 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.127 0.489 . . . . 3.09 111.357 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -100.97 48.53 0.9 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.23 -0.441 . . . . 2.85 111.403 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' B' ' 60' ' ' ASN . 0.5 OUTLIER -107.65 0.94 22.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.505 0.669 . . . . 2.46 110.11 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.546 ' HA ' ' OD1' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -54.14 -73.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 3.3 109.614 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' CYS . . . . . 0.485 ' CB ' ' SG ' ' B' ' 80' ' ' CYS . 11.0 m 66.67 -68.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.381 1.05 . . . . 3.59 113.616 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.724 ' OD2' ' HB2' ' B' ' 68' ' ' ASP . 4.8 p-10 -66.54 -11.51 53.21 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.237 0.829 . . . . 3.78 113.237 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' B' ' 66' ' ' ASP . 12.3 m-20 76.71 13.86 2.24 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.812 0.671 . . . . 7.06 112.812 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.724 ' HB2' ' OD2' ' B' ' 66' ' ' ASP . 0.3 OUTLIER -114.55 -163.94 0.9 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.388 -0.597 . . . . 6.34 109.388 178.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.805 ' CG ' ' ND2' ' B' ' 69' ' ' ASN . 19.4 p-10 -97.65 124.43 41.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.223 1.011 . . . . 6.12 110.131 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.581 ' HB3' ' CB ' ' B' ' 76' ' ' ASP . 0.1 OUTLIER -80.89 -140.18 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.281 -1.781 . . . . 5.28 112.04 -176.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.748 ' SG ' ' HA ' ' B' ' 75' ' ' SER . 1.1 m -40.43 150.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 114.22 1.193 . . . . 4.27 114.22 -179.918 -99.732 150.152 70.929 104.171 2.032 104.604 -56.336 -123.914 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.14 -61.82 0.14 Allowed Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.099 -1.601 . . . . 4.54 109.099 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.27 -25.87 8.26 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.989 -1.115 . . . . 4.72 107.989 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' B' ' 71' ' ' CYS . 2.9 t-20 -132.79 -175.97 3.95 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.517 -1.66 . . . . 4.9 106.517 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . 0.748 ' HA ' ' SG ' ' B' ' 71' ' ' CYS . 0.2 OUTLIER -72.81 173.23 9.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.214 0.461 . . . . 4.35 111.082 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.581 ' CB ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -52.91 -54.78 29.79 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.756 0.28 . . . . 3.61 111.756 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -166.6 -59.41 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.039 0.447 . . . . 4.54 110.858 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 70.02 19.55 6.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.336 -1.302 . . . . 4.64 109.659 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.15 -72.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.397 -0.819 . . . . 4.97 112.02 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' B' ' 65' ' ' CYS . 21.3 p -86.02 -4.31 59.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.868 0.334 . . . . 3.87 110.943 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -71.25 0.16 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.331 -0.395 . . . . 3.94 111.29 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.939 -0.393 . . . . 7.17 109.939 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.901 -0.48 . . . . 7.83 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.93 -33.16 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.38 . . . . 7.2 110.471 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -55.41 4.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.935 -0.765 . . . . 7.53 108.935 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -95.45 86.66 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.434 -0.803 . . . . 7.59 110.268 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.76 26.83 5.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.055 0.455 . . . . 7.09 109.98 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.513 ' SD ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -133.7 124.4 26.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 3.36 110.6 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.54 -23.42 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.526 0.565 . . . . 2.01 112.526 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HE3' ' SD ' ' A' ' 22' ' ' MET . 13.1 ptpt -58.53 -46.63 86.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 2.65 110.555 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.27 -36.61 58.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.127 -0.488 . . . . 1.92 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 86.6 m-20 -57.78 -51.37 69.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 2.11 112.052 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.78 -33.59 75.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.19 0.441 . . . . 2.55 112.19 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.96 -39.58 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.511 -0.476 . . . . 2.12 110.732 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -61.58 -46.36 90.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 1.32 111.207 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 5.8 pt-20 -72.01 -30.31 65.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 1.66 111.418 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 63.2 tttp -57.86 -44.44 86.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.882 0.372 . . . . 1.99 110.034 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.15 96.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.841 -0.618 . . . . 1.42 110.46 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.89 -37.21 81.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 1.53 110.826 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.12 -23.0 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 5.5 110.838 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 82.2 mt -87.3 -7.03 58.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.723 -0.473 . . . . 1.66 109.723 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 70.88 106.68 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.982 -1.008 . . . . 2.0 112.106 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -141.73 146.79 42.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.85 . . . . 1.71 109.842 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.37 155.07 68.27 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.492 2.128 . . . . 1.77 112.627 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.71 -38.02 84.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.461 2.774 . . . . 1.76 113.096 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.99 -32.57 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.101 0.476 . . . . 1.93 110.918 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -39.89 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 2.8 109.913 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.13 -35.71 81.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.737 . . . . 1.33 110.594 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.61 -51.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 1.47 110.537 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 2.19 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.86 -44.25 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 1.2 110.662 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -61.13 -39.31 89.55 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.8 -0.444 . . . . 1.57 109.8 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -66.37 -46.43 76.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 1.17 110.063 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -61.0 -40.46 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 1.18 110.631 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.87 -38.66 89.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.641 . . . . 1.32 110.668 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -63.02 -34.31 77.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.979 0.419 . . . . 1.77 110.645 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 47' ' ' ALA . 25.5 mm -68.03 -35.74 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.94 -0.573 . . . . 1.03 109.844 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -77.98 -41.41 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 2.61 110.353 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.47 -61.9 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.746 -0.661 . . . . 1.71 111.353 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -61.17 -36.0 78.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.72 -0.673 . . . . 3.93 111.204 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.64 -48.0 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 2.1 111.358 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.31 -41.68 96.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 1.95 110.396 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.89 -42.31 99.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 2.1 110.189 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.81 -44.43 77.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 2.02 110.193 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -60.3 -35.3 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.818 -0.628 . . . . 2.5 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 28' ' ' ASP . 0.0 OUTLIER -60.39 -50.24 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 2.99 110.298 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -66.17 -38.08 87.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 2.69 109.495 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.87 -49.99 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.475 -0.784 . . . . 2.52 110.392 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.93 -43.24 81.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.03 -0.532 . . . . 5.03 111.159 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -37.03 86.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.357 0.599 . . . . 3.17 110.032 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -21.43 60.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.532 -0.758 . . . . 3.52 110.464 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.65 31.45 10.24 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.767 -0.651 . . . . 2.81 112.287 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm? -86.44 -32.94 20.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.994 0.368 . . . . 2.89 111.994 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 22.8 t70 -136.32 107.72 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.785 0.326 . . . . 2.44 110.687 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -120.13 -20.11 7.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 4.01 110.529 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -81.61 -20.11 40.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 3.95 110.654 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.1 40.39 7.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.891 -0.671 . . . . 2.35 112.546 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -80.81 -44.96 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.798 0.332 . . . . 3.01 110.372 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 24.8 mmtm -62.55 -41.21 98.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 2.53 110.418 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' O ' HG13 ' A' ' 78' ' ' ILE . 43.8 tt0 -69.05 -34.93 75.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.786 -0.366 . . . . 2.79 110.394 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.96 86.15 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.301 -0.629 . . . . 2.28 109.301 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -65.98 -39.98 90.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.915 -1.039 . . . . 2.07 109.121 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 74' ' ' GLU . 38.2 mt -62.15 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.36 -0.836 . . . . 1.71 110.37 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 74' ' ' GLU . 77.8 mt -59.96 -41.88 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.23 -0.441 . . . . 2.32 110.46 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -61.15 -42.65 98.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.066 0.46 . . . . 3.4 109.903 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -68.58 -36.45 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 2.09 109.847 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.66 -34.44 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 2.03 110.203 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.5 -41.46 94.34 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.14 -0.689 . . . . 3.59 109.14 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.72 -43.52 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.711 -0.677 . . . . 2.17 109.588 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.62 -45.39 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.542 -0.754 . . . . 1.66 110.828 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.66 -37.23 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.286 -0.416 . . . . 2.15 111.124 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.87 -8.46 59.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.983 0.42 . . . . 2.48 111.049 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -101.95 -40.12 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 1.97 111.906 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -112.21 -17.91 12.67 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.573 0.582 . . . . 1.67 112.573 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.7 62.63 5.87 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.171 -0.537 . . . . 1.83 112.8 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -107.38 29.72 6.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.552 0.575 . . . . 1.71 112.552 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -88.79 174.77 7.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.064 -0.347 . . . . 5.14 110.064 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.05 119.97 0.93 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.686 -0.768 . . . . 4.05 112.134 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 68' ' ' ASP . 64.4 tttt 52.96 52.02 14.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.171 0.51 . . . . 5.78 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 97' ' ' ARG . 5.5 pttm -61.22 -25.0 66.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 7.12 111.19 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.21 -58.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 9.92 109.224 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.41 -42.89 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.741 -0.663 . . . . 10.05 109.724 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.92 -1.038 . . . . 12.21 109.502 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.158 -0.312 . . . . 4.88 110.158 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 -54.12 6.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.004 0.43 . . . . 3.77 110.202 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 8.17 111.002 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.88 -9.34 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.965 0.728 . . . . 4.28 112.965 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.677 ' SG ' ' HG3' ' B' ' 9' ' ' GLN . 0.5 OUTLIER 70.4 148.94 0.12 Allowed Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 123.369 0.418 . . . . 3.44 110.94 -179.709 -141.091 85.128 126.245 104.855 2.031 103.512 -74.485 -92.57 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' B' ' 5' ' ' CYS . 48.9 Cg_exo -55.53 157.33 15.42 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.956 2.437 . . . . 4.26 112.562 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.81 -19.98 49.54 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.49 2.793 . . . . 5.29 114.069 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -12.65 60.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.484 0.659 . . . . 5.18 110.098 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.677 ' HG3' ' SG ' ' B' ' 5' ' ' CYS . 0.5 OUTLIER -134.92 -162.73 1.29 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.447 -0.797 . . . . 4.14 109.124 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -153.55 162.06 41.62 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.577 -0.527 . . . . 2.3 109.577 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 57.3 p -106.79 122.41 46.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 112.025 0.38 . . . . 2.76 112.025 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' B' ' 16' ' ' ARG . 0.5 OUTLIER -68.01 174.22 3.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.137 -0.69 . . . . 2.55 109.137 178.112 154.14 132.919 -122.606 104.905 2.036 104.711 95.491 55.658 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.527 ' N ' ' SG ' ' B' ' 12' ' ' CYS . . . -24.77 -71.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.75 1.759 . . . . 3.16 115.75 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -80.76 34.4 0.34 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 114.114 1.153 . . . . 5.07 114.114 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.96 39.47 89.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.541 -0.838 . . . . 3.55 112.557 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.6 ' HB2' ' HB3' ' B' ' 12' ' ' CYS . 10.2 mtp180 -84.89 -156.31 0.24 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.44 -0.578 . . . . 5.55 109.44 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.77 123.52 11.9 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.17 0.51 . . . . 3.34 111.201 -179.123 -92.57 -74.485 126.245 103.512 2.031 104.855 85.128 -141.091 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.602 HD12 ' O ' ' B' ' 19' ' ' PRO . 1.3 pp -142.25 146.74 40.86 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 108.001 -1.111 . . . . 2.78 108.001 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.602 ' O ' HD12 ' B' ' 18' ' ' ILE . 31.1 Cg_exo -60.49 141.93 96.69 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.997 1.798 . . . . 3.69 112.024 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.54 -41.64 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 112.311 0.485 . . . . 3.99 112.311 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -3.5 3.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.918 1.081 . . . . 3.14 113.918 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TRP . . . . . 0.455 ' HB2' ' CD1' ' B' ' 18' ' ' ILE . 27.0 m0 -93.89 -17.47 22.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.029 -0.42 . . . . 3.66 112.04 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.0 p -58.39 -99.51 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.115 0.483 . . . . 2.21 110.931 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.07 94.23 8.79 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.295 -0.866 . . . . 2.77 109.578 179.308 -92.804 -170.775 -92.206 102.816 2.023 102.953 -98.222 69.547 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.598 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 12.6 p-10 -140.71 -52.12 0.47 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.819 -0.352 . . . . 3.78 111.54 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' B' ' 25' ' ' ASP . 6.8 tp 161.62 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 124.222 0.951 . . . . 4.25 109.241 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.32 135.89 39.28 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.669 0.747 . . . . 3.6 111.367 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -84.59 100.58 11.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.146 -1.388 . . . . 4.27 111.778 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.691 ' HB2' ' OD2' ' B' ' 35' ' ' ASP . 4.3 m-20 -96.32 -108.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.664 -0.495 . . . . 2.68 109.664 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' B' ' 33' ' ' ARG . 22.0 p -169.62 30.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.366 1.247 . . . . 2.48 114.366 179.294 55.658 95.491 -122.606 104.711 2.036 104.905 132.919 154.14 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 35' ' ' ASP . . . -51.48 -55.52 19.44 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.449 -0.882 . . . . 2.47 111.501 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.664 ' O ' ' HG3' ' B' ' 33' ' ' ARG . 13.5 p-10 -104.49 -43.07 5.27 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.135 -1.802 . . . . 3.03 106.135 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 20.5 mtt85 -158.65 -42.13 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 112.933 -1.939 . . . . 4.18 107.574 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -148.44 7.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.639 -1.164 . . . . 3.83 110.551 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.691 ' OD2' ' HB2' ' B' ' 29' ' ' ASP . 0.9 OUTLIER 40.89 31.85 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.266 1.026 . . . . 3.16 113.446 -178.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -118.15 110.74 17.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 110.04 -0.356 . . . . 3.07 110.04 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 42' ' ' TYR . 11.0 m 81.8 -55.04 0.25 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.232 -0.894 . . . . 3.5 111.575 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.89 0.52 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.375 0.607 . . . . 3.3 112.079 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.8 -64.18 0.35 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 3.3 110.014 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.47 4.4 51.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 2.75 111.667 -179.441 69.547 -98.222 -92.206 102.953 2.023 102.816 -170.775 -92.804 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . 72.07 -2.11 2.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.085 0.554 . . . . 2.83 110.84 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' B' ' 45' ' ' CYS . 0.1 OUTLIER 55.2 73.29 0.89 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 5.44 113.125 179.073 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.85 90.48 1.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.651 2.234 . . . . 2.63 109.402 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.495 ' O ' HG22 ' B' ' 44' ' ' THR . 23.3 m 62.88 42.1 8.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 122.174 0.988 . . . . 3.23 108.483 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.48 ' HA ' ' CD2' ' B' ' 42' ' ' TYR . 60.0 m 68.55 -71.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.239 -1.346 . . . . 2.91 110.792 -178.97 -55.525 147.155 52.406 104.603 2.033 103.632 150.678 -38.66 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' B' ' 50' ' ' GLN . 0.1 OUTLIER -169.22 107.84 0.48 Allowed Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 4.84 110.636 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -85.02 45.21 1.58 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.776 2.317 . . . . 3.48 112.586 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.32 -62.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.242 0.544 . . . . 4.2 111.041 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.424 ' C ' ' HB ' ' B' ' 61' ' ' ILE . 1.1 p -144.51 75.09 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.257 -1.386 . . . . 2.26 107.257 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 5.5 tt0 -122.61 147.26 46.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.613 1.338 . . . . 3.72 114.613 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' B' ' 59' ' ' ILE . 50.8 t80 -123.81 157.09 34.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.784 -1.932 . . . . 2.49 105.784 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -104.33 106.77 17.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.413 0.551 . . . . 2.32 111.934 -177.378 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.584 ' HA ' ' CB ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -72.14 -164.16 0.13 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.119 0.785 . . . . 2.41 113.119 179.532 -123.914 -56.336 70.929 104.604 2.032 104.171 150.152 -99.732 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -29.72 98.86 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 115.366 1.617 . . . . 5.04 115.366 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 58.81 34.57 23.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.963 -1.472 . . . . 3.96 114.783 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.89 7.6 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 119.574 -1.298 . . . . 2.42 115.284 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' B' ' 52' ' ' THR . 53.0 mtt180 -85.96 175.98 8.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.808 0.804 . . . . 2.75 109.367 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 3.6 m -118.12 119.07 33.63 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.278 -0.569 . . . . 1.97 111.254 -179.919 -38.66 150.678 52.406 103.632 2.033 104.603 147.155 -55.525 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.533 HD11 ' CD2' ' B' ' 51' ' ' PHE . 11.2 pt -130.21 171.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.556 -0.535 . . . . 1.86 109.556 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' B' ' 63' ' ' TRP . 37.2 t-20 -61.13 132.97 55.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.436 -0.579 . . . . 2.37 109.436 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' B' ' 51' ' ' PHE . 0.0 OUTLIER -63.24 -23.86 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.127 0.489 . . . . 2.18 111.357 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -100.97 48.53 0.9 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.23 -0.441 . . . . 2.51 111.403 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' TRP . . . . . 0.489 ' CD1' ' HB3' ' B' ' 60' ' ' ASN . 0.5 OUTLIER -107.65 0.94 22.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.505 0.669 . . . . 2.46 110.11 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.556 ' HA ' ' OD1' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -54.14 -73.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 3.01 109.614 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' CYS . . . . . 0.589 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . 11.0 m 66.67 -68.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.381 1.05 . . . . 3.59 113.616 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.745 ' OD2' ' HB2' ' B' ' 68' ' ' ASP . 4.8 p-10 -66.54 -11.51 53.21 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.237 0.829 . . . . 3.78 113.237 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 66' ' ' ASP . 12.3 m-20 76.71 13.86 2.24 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.812 0.671 . . . . 7.06 112.812 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.745 ' HB2' ' OD2' ' B' ' 66' ' ' ASP . 0.3 OUTLIER -114.55 -163.94 0.9 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.388 -0.597 . . . . 6.34 109.388 178.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.805 ' CG ' ' ND2' ' B' ' 69' ' ' ASN . 19.4 p-10 -97.65 124.43 41.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.223 1.011 . . . . 5.19 110.131 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.604 ' HB3' ' CB ' ' B' ' 76' ' ' ASP . 0.1 OUTLIER -80.89 -140.18 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.281 -1.781 . . . . 5.28 112.04 -176.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.766 ' SG ' ' HA ' ' B' ' 75' ' ' SER . 1.1 m -40.43 150.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 114.22 1.193 . . . . 4.27 114.22 -179.918 -99.732 150.152 70.929 104.171 2.032 104.604 -56.336 -123.914 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.14 -61.82 0.14 Allowed Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.099 -1.601 . . . . 3.84 109.099 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.27 -25.87 8.26 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.989 -1.115 . . . . 4.72 107.989 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' B' ' 71' ' ' CYS . 2.9 t-20 -132.79 -175.97 3.95 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.517 -1.66 . . . . 4.8 106.517 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.766 ' HA ' ' SG ' ' B' ' 71' ' ' CYS . 0.2 OUTLIER -72.81 173.23 9.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.214 0.461 . . . . 4.04 111.082 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -52.91 -54.78 29.79 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.756 0.28 . . . . 3.5 111.756 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -166.6 -59.41 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.039 0.447 . . . . 4.34 110.858 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 70.02 19.55 6.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.336 -1.302 . . . . 4.47 109.659 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.15 -72.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.397 -0.819 . . . . 4.97 112.02 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' B' ' 65' ' ' CYS . 21.3 p -86.02 -4.31 59.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.868 0.334 . . . . 3.69 110.943 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -71.25 0.16 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.331 -0.395 . . . . 3.94 111.29 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.939 -0.393 . . . . 6.28 109.939 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.901 -0.48 . . . . 7.8300000000000001 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.93 -33.16 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.38 . . . . 7.2000000000000002 110.471 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -55.41 4.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.935 -0.765 . . . . 7.5300000000000002 108.935 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -95.45 86.66 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.434 -0.803 . . . . 7.5899999999999999 110.268 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.76 26.83 5.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.055 0.455 . . . . 7.0899999999999999 109.98 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.513 ' SD ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -133.7 124.4 26.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 3.3599999999999999 110.6 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.54 -23.42 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.526 0.565 . . . . 2.0099999999999998 112.526 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HE3' ' SD ' ' A' ' 22' ' ' MET . 13.1 ptpt -58.53 -46.63 86.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 2.6499999999999999 110.555 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.27 -36.61 58.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.127 -0.488 . . . . 1.9199999999999999 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 86.6 m-20 -57.78 -51.37 69.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 2.1099999999999999 112.052 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.78 -33.59 75.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.19 0.441 . . . . 2.5499999999999998 112.19 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.96 -39.58 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.511 -0.476 . . . . 2.1200000000000001 110.732 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -61.58 -46.36 90.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 1.3200000000000001 111.207 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 5.8 pt-20 -72.01 -30.31 65.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.364 -0.38 . . . . 1.6599999999999999 111.418 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 63.2 tttp -57.86 -44.44 86.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.882 0.372 . . . . 1.99 110.034 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.15 96.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.841 -0.618 . . . . 1.4199999999999999 110.46 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.486 HE21 ' HA ' ' A' ' 30' ' ' GLU . 45.0 mt-30 -67.89 -37.21 81.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 1.53 110.826 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.12 -23.0 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 5.5 110.838 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 82.2 mt -87.3 -7.03 58.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.723 -0.473 . . . . 1.6599999999999999 109.723 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 70.88 106.68 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.982 -1.008 . . . . 2.0 112.106 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -141.73 146.79 42.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.85 . . . . 1.71 109.842 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.37 155.07 68.27 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.492 2.128 . . . . 1.77 112.627 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.71 -38.02 84.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.461 2.774 . . . . 1.76 113.096 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.99 -32.57 50.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.101 0.476 . . . . 1.9299999999999999 110.918 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -39.89 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 2.7999999999999998 109.913 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.13 -35.71 81.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.737 . . . . 1.3300000000000001 110.594 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.61 -51.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 1.47 110.537 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 2.1899999999999999 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.86 -44.25 97.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 1.2 110.662 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -61.13 -39.31 89.55 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.8 -0.444 . . . . 1.5700000000000001 109.8 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -66.37 -46.43 76.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 1.1699999999999999 110.063 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -61.0 -40.46 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 1.1799999999999999 110.631 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.87 -38.66 89.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.641 . . . . 1.3200000000000001 110.668 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -63.02 -34.31 77.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.979 0.419 . . . . 1.77 110.645 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 47' ' ' ALA . 25.5 mm -68.03 -35.74 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.94 -0.573 . . . . 1.03 109.844 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -77.98 -41.41 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 2.6099999999999999 110.353 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.47 -61.9 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.746 -0.661 . . . . 1.71 111.353 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -61.17 -36.0 78.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.72 -0.673 . . . . 3.9300000000000002 111.204 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.64 -48.0 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 2.1000000000000001 111.358 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.31 -41.68 96.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 1.95 110.396 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.89 -42.31 99.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 2.1000000000000001 110.189 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.81 -44.43 77.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 2.02 110.193 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -60.3 -35.3 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.818 -0.628 . . . . 2.5 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 28' ' ' ASP . 0.0 OUTLIER -60.39 -50.24 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.051 0.453 . . . . 2.9900000000000002 110.298 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -66.17 -38.08 87.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 2.6899999999999999 109.495 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.87 -49.99 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.475 -0.784 . . . . 2.52 110.392 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.93 -43.24 81.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.03 -0.532 . . . . 5.0300000000000002 111.159 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -37.03 86.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.357 0.599 . . . . 3.1699999999999999 110.032 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -21.43 60.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.532 -0.758 . . . . 3.52 110.464 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.65 31.45 10.24 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.767 -0.651 . . . . 2.8100000000000001 112.287 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 67' ' ' LEU . 1.5 mm? -86.44 -32.94 20.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.994 0.368 . . . . 2.8900000000000001 111.994 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 22.8 t70 -136.32 107.72 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.785 0.326 . . . . 2.4399999999999999 110.687 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -120.13 -20.11 7.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 4.0099999999999998 110.529 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -81.61 -20.11 40.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 3.9500000000000002 110.654 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.1 40.39 7.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.891 -0.671 . . . . 2.3500000000000001 112.546 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -80.81 -44.96 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.798 0.332 . . . . 3.0099999999999998 110.372 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 24.8 mmtm -62.55 -41.21 98.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 2.5299999999999998 110.418 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' O ' HG13 ' A' ' 78' ' ' ILE . 43.8 tt0 -69.05 -34.93 75.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.786 -0.366 . . . . 2.79 110.394 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.96 86.15 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.301 -0.629 . . . . 2.2799999999999998 109.301 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -65.98 -39.98 90.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.915 -1.039 . . . . 2.0699999999999998 109.121 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 74' ' ' GLU . 38.2 mt -62.15 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.36 -0.836 . . . . 1.71 110.37 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 74' ' ' GLU . 77.8 mt -59.96 -41.88 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.23 -0.441 . . . . 2.3199999999999998 110.46 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -61.15 -42.65 98.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.066 0.46 . . . . 3.3999999999999999 109.903 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -68.58 -36.45 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 2.0899999999999999 109.847 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.66 -34.44 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 2.0299999999999998 110.203 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.5 -41.46 94.34 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.14 -0.689 . . . . 3.5899999999999999 109.14 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.72 -43.52 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.711 -0.677 . . . . 2.1699999999999999 109.588 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.62 -45.39 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.542 -0.754 . . . . 1.6599999999999999 110.828 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.66 -37.23 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.286 -0.416 . . . . 2.1499999999999999 111.124 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.87 -8.46 59.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.983 0.42 . . . . 2.48 111.049 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -101.95 -40.12 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 1.97 111.906 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -112.21 -17.91 12.67 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.573 0.582 . . . . 1.6699999999999999 112.573 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.7 62.63 5.87 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.171 -0.537 . . . . 1.8300000000000001 112.8 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -107.38 29.72 6.9 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.552 0.575 . . . . 1.71 112.552 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -88.79 174.77 7.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.064 -0.347 . . . . 5.1399999999999997 110.064 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.05 119.97 0.93 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.686 -0.768 . . . . 4.0499999999999998 112.134 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 68' ' ' ASP . 64.4 tttt 52.96 52.02 14.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.171 0.51 . . . . 5.7800000000000002 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 97' ' ' ARG . 5.5 pttm -61.22 -25.0 66.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 7.1200000000000001 111.19 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.21 -58.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 9.9199999999999999 109.224 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.41 -42.89 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.741 -0.663 . . . . 10.050000000000001 109.724 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.92 -1.038 . . . . 12.210000000000001 109.502 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.158 -0.312 . . . . 4.8799999999999999 110.158 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 -54.12 6.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.004 0.43 . . . . 3.77 110.202 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 8.1699999999999999 111.002 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.88 -9.34 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.965 0.728 . . . . 4.2800000000000002 112.965 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.677 ' SG ' ' HG3' ' B' ' 9' ' ' GLN . 0.5 OUTLIER 70.4 148.94 0.12 Allowed Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 123.369 0.418 . . . . 3.4399999999999999 110.94 -179.709 -141.091 85.128 126.245 104.855 2.031 103.512 -74.485 -92.57 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' B' ' 5' ' ' CYS . 48.9 Cg_exo -55.53 157.33 15.42 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.956 2.437 . . . . 4.2599999999999998 112.562 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.81 -19.98 49.54 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.49 2.793 . . . . 5.29 114.069 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -12.65 60.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.484 0.659 . . . . 5.1799999999999997 110.098 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.677 ' HG3' ' SG ' ' B' ' 5' ' ' CYS . 0.0 OUTLIER -134.92 -162.73 1.29 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.447 -0.797 . . . . 4.1399999999999997 109.124 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -153.55 162.06 41.62 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.577 -0.527 . . . . 2.2999999999999998 109.577 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 57.3 p -106.79 122.41 46.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 112.025 0.38 . . . . 2.7599999999999998 112.025 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' B' ' 16' ' ' ARG . 0.5 OUTLIER -68.01 174.22 3.95 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.137 -0.69 . . . . 2.5499999999999998 109.137 178.112 154.14 132.919 -122.606 104.905 2.036 104.711 95.491 55.658 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.527 ' N ' ' SG ' ' B' ' 12' ' ' CYS . . . -24.77 -71.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.75 1.759 . . . . 3.1600000000000001 115.75 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -80.76 34.4 0.34 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 114.114 1.153 . . . . 5.0700000000000003 114.114 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.96 39.47 89.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.541 -0.838 . . . . 3.5499999999999998 112.557 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.6 ' HB2' ' HB3' ' B' ' 12' ' ' CYS . 10.2 mtp180 -84.89 -156.31 0.24 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.44 -0.578 . . . . 5.5499999999999998 109.44 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.77 123.52 11.9 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.17 0.51 . . . . 3.3399999999999999 111.201 -179.123 -92.57 -74.485 126.245 103.512 2.031 104.855 85.128 -141.091 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.602 HD12 ' O ' ' B' ' 19' ' ' PRO . 1.3 pp -142.25 146.74 40.86 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 108.001 -1.111 . . . . 2.7799999999999998 108.001 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.602 ' O ' HD12 ' B' ' 18' ' ' ILE . 31.1 Cg_exo -60.49 141.93 96.69 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.997 1.798 . . . . 3.6899999999999999 112.024 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.54 -41.64 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 112.311 0.485 . . . . 3.9900000000000002 112.311 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -3.5 3.25 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.918 1.081 . . . . 3.1400000000000001 113.918 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TRP . . . . . 0.455 ' HB2' ' CD1' ' B' ' 18' ' ' ILE . 27.0 m0 -93.89 -17.47 22.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.029 -0.42 . . . . 3.6600000000000001 112.04 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.0 p -58.39 -99.51 0.0 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.115 0.483 . . . . 2.21 110.931 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.07 94.23 8.79 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.295 -0.866 . . . . 2.77 109.578 179.308 -92.804 -170.775 -92.206 102.816 2.023 102.953 -98.222 69.547 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.598 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 12.6 p-10 -140.71 -52.12 0.47 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.819 -0.352 . . . . 3.7799999999999998 111.54 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' B' ' 25' ' ' ASP . 6.8 tp 161.62 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 124.222 0.951 . . . . 4.25 109.241 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.32 135.89 39.28 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.669 0.747 . . . . 3.6000000000000001 111.367 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -84.59 100.58 11.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.146 -1.388 . . . . 4.2699999999999996 111.778 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.691 ' HB2' ' OD2' ' B' ' 35' ' ' ASP . 4.3 m-20 -96.32 -108.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.664 -0.495 . . . . 2.6800000000000002 109.664 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' B' ' 33' ' ' ARG . 22.0 p -169.62 30.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.366 1.247 . . . . 2.48 114.366 179.294 55.658 95.491 -122.606 104.711 2.036 104.905 132.919 154.14 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 35' ' ' ASP . . . -51.48 -55.52 19.44 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.449 -0.882 . . . . 2.4700000000000002 111.501 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.664 ' O ' ' HG3' ' B' ' 33' ' ' ARG . 13.5 p-10 -104.49 -43.07 5.27 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.135 -1.802 . . . . 3.0299999999999998 106.135 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 20.5 mtt85 -158.65 -42.13 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 112.933 -1.939 . . . . 4.1799999999999997 107.574 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -148.44 7.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.639 -1.164 . . . . 3.8300000000000001 110.551 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.691 ' OD2' ' HB2' ' B' ' 29' ' ' ASP . 0.9 OUTLIER 40.89 31.85 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.266 1.026 . . . . 3.1600000000000001 113.446 -178.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -118.15 110.74 17.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 110.04 -0.356 . . . . 3.0699999999999998 110.04 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 42' ' ' TYR . 11.0 m 81.8 -55.04 0.25 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.232 -0.894 . . . . 3.5 111.575 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.89 0.52 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.375 0.607 . . . . 3.2999999999999998 112.079 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.8 -64.18 0.35 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 3.2999999999999998 110.014 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.47 4.4 51.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 2.75 111.667 -179.441 69.547 -98.222 -92.206 102.953 2.023 102.816 -170.775 -92.804 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . 72.07 -2.11 2.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.085 0.554 . . . . 2.8300000000000001 110.84 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' B' ' 45' ' ' CYS . 0.1 OUTLIER 55.2 73.29 0.89 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 5.4400000000000004 113.125 179.073 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.85 90.48 1.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.651 2.234 . . . . 2.6299999999999999 109.402 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.495 ' O ' HG22 ' B' ' 44' ' ' THR . 23.3 m 62.88 42.1 8.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 122.174 0.988 . . . . 3.23 108.483 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.48 ' HA ' ' CD2' ' B' ' 42' ' ' TYR . 60.0 m 68.55 -71.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.239 -1.346 . . . . 2.9100000000000001 110.792 -178.97 -55.525 147.155 52.406 104.603 2.033 103.632 150.678 -38.66 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' B' ' 50' ' ' GLN . 0.1 OUTLIER -169.22 107.84 0.48 Allowed Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 4.8399999999999999 110.636 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -85.02 45.21 1.58 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.776 2.317 . . . . 3.48 112.586 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.32 -62.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.242 0.544 . . . . 4.2000000000000002 111.041 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.424 ' C ' ' HB ' ' B' ' 61' ' ' ILE . 1.1 p -144.51 75.09 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.257 -1.386 . . . . 2.2599999999999998 107.257 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 5.5 tt0 -122.61 147.26 46.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.613 1.338 . . . . 3.7200000000000002 114.613 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' B' ' 59' ' ' ILE . 50.8 t80 -123.81 157.09 34.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.784 -1.932 . . . . 2.4900000000000002 105.784 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -104.33 106.77 17.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.413 0.551 . . . . 2.3199999999999998 111.934 -177.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.584 ' HA ' ' CB ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -72.14 -164.16 0.13 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.119 0.785 . . . . 2.4100000000000001 113.119 179.532 -123.914 -56.336 70.929 104.604 2.032 104.171 150.152 -99.732 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -29.72 98.86 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 115.366 1.617 . . . . 5.04 115.366 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 58.81 34.57 23.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.963 -1.472 . . . . 3.96 114.783 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.89 7.6 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 119.574 -1.298 . . . . 2.4199999999999999 115.284 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.611 ' O ' ' HA ' ' B' ' 52' ' ' THR . 53.0 mtt180 -85.96 175.98 8.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.808 0.804 . . . . 2.75 109.367 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 3.6 m -118.12 119.07 33.63 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.278 -0.569 . . . . 1.97 111.254 -179.919 -38.66 150.678 52.406 103.632 2.033 104.603 147.155 -55.525 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.533 HD11 ' CD2' ' B' ' 51' ' ' PHE . 11.2 pt -130.21 171.88 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.556 -0.535 . . . . 1.8600000000000001 109.556 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' B' ' 63' ' ' TRP . 37.2 t-20 -61.13 132.97 55.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.436 -0.579 . . . . 2.3700000000000001 109.436 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' B' ' 51' ' ' PHE . 0.0 OUTLIER -63.24 -23.86 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.127 0.489 . . . . 2.1800000000000002 111.357 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -100.97 48.53 0.9 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.23 -0.441 . . . . 2.5099999999999998 111.403 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' TRP . . . . . 0.489 ' CD1' ' HB3' ' B' ' 60' ' ' ASN . 0.5 OUTLIER -107.65 0.94 22.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.505 0.669 . . . . 2.46 110.11 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.556 ' HA ' ' OD1' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -54.14 -73.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 3.0099999999999998 109.614 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' CYS . . . . . 0.589 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . 11.0 m 66.67 -68.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.381 1.05 . . . . 3.5899999999999999 113.616 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.745 ' OD2' ' HB2' ' B' ' 68' ' ' ASP . 4.8 p-10 -66.54 -11.51 53.21 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.237 0.829 . . . . 3.7799999999999998 113.237 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 66' ' ' ASP . 12.3 m-20 76.71 13.86 2.24 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.812 0.671 . . . . 7.0599999999999996 112.812 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.745 ' HB2' ' OD2' ' B' ' 66' ' ' ASP . 0.3 OUTLIER -114.55 -163.94 0.9 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.388 -0.597 . . . . 6.3399999999999999 109.388 178.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.805 ' CG ' ' ND2' ' B' ' 69' ' ' ASN . 19.4 p-10 -97.65 124.43 41.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.223 1.011 . . . . 5.1900000000000004 110.131 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.604 ' HB3' ' CB ' ' B' ' 76' ' ' ASP . 0.1 OUTLIER -80.89 -140.18 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.281 -1.781 . . . . 5.2800000000000002 112.04 -176.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.766 ' SG ' ' HA ' ' B' ' 75' ' ' SER . 1.1 m -40.43 150.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 114.22 1.193 . . . . 4.2699999999999996 114.22 -179.918 -99.732 150.152 70.929 104.171 2.032 104.604 -56.336 -123.914 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.14 -61.82 0.14 Allowed Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.099 -1.601 . . . . 3.8399999999999999 109.099 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.27 -25.87 8.26 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.989 -1.115 . . . . 4.7199999999999998 107.989 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' B' ' 71' ' ' CYS . 2.9 t-20 -132.79 -175.97 3.95 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.517 -1.66 . . . . 4.7999999999999998 106.517 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.766 ' HA ' ' SG ' ' B' ' 71' ' ' CYS . 0.2 OUTLIER -72.81 173.23 9.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.214 0.461 . . . . 4.04 111.082 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -52.91 -54.78 29.79 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.756 0.28 . . . . 3.5 111.756 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -166.6 -59.41 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.039 0.447 . . . . 4.3399999999999999 110.858 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 70.02 19.55 6.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.336 -1.302 . . . . 4.4699999999999998 109.659 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.15 -72.36 0.7 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.397 -0.819 . . . . 4.9699999999999998 112.02 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' B' ' 65' ' ' CYS . 21.3 p -86.02 -4.31 59.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.868 0.334 . . . . 3.6899999999999999 110.943 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -71.25 0.16 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.331 -0.395 . . . . 3.9399999999999999 111.29 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.939 -0.393 . . . . 6.2800000000000002 109.939 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_