data_1c7w_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 1c7w _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 114.977 -2.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.77 -34.43 78.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 113.701 -3.047 . . . . 0.0 112.487 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.89 -57.3 3.72 Favored 'General case' 0 C--N 1.317 -0.808 2 O-C-N 80.876 -26.14 . . . . 0.0 113.476 -174.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.4 mm -66.93 -50.98 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.65 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -39.41 87.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 122.921 2.6 . . . . 0.0 111.671 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -52.9 -59.96 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 120.315 1.416 . . . . 0.0 110.128 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.84 -57.83 4.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 115.583 -2.151 . . . . 0.0 116.783 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.2 -49.82 58.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 123.324 2.784 . . . . 0.0 113.931 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . 0.333 35.9 mttt -64.99 -22.72 67.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 113.644 -3.074 . . . . 0.0 111.167 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -45.48 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 124.956 3.526 . . . . 0.0 108.345 167.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -52.96 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 121.919 2.145 . . . . 0.0 112.114 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.432 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . . . -66.56 -55.46 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.75 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 122.365 2.348 . . . . 0.0 117.101 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -91.81 -16.25 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 120.923 2.362 . . . . 0.0 114.377 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.11 19.99 6.94 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-O 116.432 -2.315 . . . . 0.0 116.746 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.38 143.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 120.697 2.249 . . . . 0.0 110.087 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.8 mt -118.05 133.69 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 111.944 -2.389 . . . . 0.0 107.842 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -115.08 170.4 8.38 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.008 1.323 . . . . 0.0 110.509 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -68.54 -50.15 54.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 119.558 -1.964 . . . . 0.0 114.926 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -63.11 -37.02 85.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 119.624 1.102 . . . . 0.0 113.308 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 99' ' ' ALA 0.275 21.8 tp10 -71.78 -24.04 61.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 121.63 2.014 . . . . 0.0 113.25 173.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.7 -48.67 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.025 2.13 . . . . 0.0 105.838 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -52.88 -39.24 62.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.499 1.52 . . . . 0.0 112.233 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.7 -55.11 22.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 120.118 1.326 . . . . 0.0 112.377 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 tt -73.22 -10.59 14.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 117.827 2.529 . . . . 0.0 117.827 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.494 ' HG3' HE21 ' A' ' 115' ' ' GLN . 12.6 ptm -42.8 -32.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.494 HE21 ' HG3' ' A' ' 114' ' ' MET . 15.2 mm-40 -151.94 -26.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . 0.395 0.0 OUTLIER -139.23 -178.95 5.59 Favored 'General case' 0 C--N 1.321 -0.653 1 N-CA-C 122.305 4.187 . . . . 0.0 122.305 -161.205 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.09 84.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.63 -104.98 0.4 Allowed Glycine 0 CA--C 1.522 0.513 0 C-N-CA 123.901 0.762 . . . . 0.0 114.186 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.91 161.54 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 3.7 tp10 -93.54 125.2 54.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 120.118 -1.613 . . . . 0.0 114.602 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 120' ' ' GLU 0.265 57.1 Cg_endo -135.09 67.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.328 -0.552 0 C-N-CA 123.75 2.967 . . . . 0.0 109.72 -175.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 164.54 16.48 Favored 'General case' 0 C--N 1.322 -0.624 1 N-CA-C 127.819 6.229 . . . . 0.0 127.819 -161.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 p -138.63 120.65 15.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 100.379 -3.934 . . . . 0.0 100.379 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.26 -37.17 84.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.66 69.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.31 -49.74 75.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 120.353 1.433 . . . . 0.0 114.479 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.305 0.3 OUTLIER -67.53 -42.15 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 125.172 1.389 . . . . 0.0 113.344 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -65.64 -48.67 71.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.148 1.379 . . . . 0.0 111.684 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.26 -49.57 76.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 120.19 1.359 . . . . 0.0 113.031 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.672 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -32.43 69.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 116.032 -1.937 . . . . 0.0 113.223 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.81 -46.81 89.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 122.728 2.513 . . . . 0.0 110.645 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.2 -37.98 78.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 120.355 1.434 . . . . 0.0 114.138 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.82 -21.72 32.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.657 3.206 . . . . 0.0 119.657 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -89.32 117.07 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 124.015 3.098 . . . . 0.0 110.515 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.55 -28.58 37.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -96.0 -14.29 23.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.26 90.46 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 121.117 1.78 . . . . 0.0 115.85 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -81.73 -31.42 32.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 119.558 1.679 . . . . 0.0 115.026 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.52 17.18 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 120.484 1.493 . . . . 0.0 115.747 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.56 150.91 18.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.16 131.39 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.311 -1.768 . . . . 0.0 112.164 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -104.68 163.82 12.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.5 mt -56.99 -44.71 99.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 112.844 -3.455 . . . . 0.0 112.528 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.11 -36.82 29.39 Favored 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 124.837 3.691 . . . . 0.0 118.571 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.61 -60.47 3.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 119.631 1.105 . . . . 0.0 111.201 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -46.26 -51.95 13.5 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 126.174 1.79 . . . . 0.0 113.527 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 1.9 ptp -63.94 -34.58 78.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 116.535 -1.698 . . . . 0.0 113.437 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -46.01 74.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 122.581 2.446 . . . . 0.0 111.631 173.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . 0.319 0.0 OUTLIER -65.16 -26.76 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 116.193 -1.861 . . . . 0.0 113.937 177.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.6 mt -89.08 -58.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 122.767 2.531 . . . . 0.0 110.356 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -77.5 -3.54 41.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 120.369 3.47 . . . . 0.0 120.369 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -40.2 -39.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 125.87 3.941 . . . . 0.0 118.339 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 114.977 -2.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.77 -34.43 78.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 113.701 -3.047 . . . . 0.0 112.487 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.89 -57.3 3.72 Favored 'General case' 0 C--N 1.317 -0.808 2 O-C-N 80.876 -26.14 . . . . 0.0 113.476 -174.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.605 HG23 ' HE1' ' A' ' 147' ' ' PHE . 22.4 mm -66.93 -50.98 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.65 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -39.41 87.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 122.921 2.6 . . . . 0.0 111.671 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -52.9 -59.96 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 120.315 1.416 . . . . 0.0 110.128 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.84 -57.83 4.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 115.583 -2.151 . . . . 0.0 116.783 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.459 ' CE2' HD12 ' A' ' 105' ' ' ILE . 19.8 t80 -68.2 -49.82 58.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 123.324 2.784 . . . . 0.0 113.931 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . 0.333 35.9 mttt -64.99 -22.72 67.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 113.644 -3.074 . . . . 0.0 111.167 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -45.48 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 124.956 3.526 . . . . 0.0 108.345 167.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -52.96 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 121.919 2.145 . . . . 0.0 112.114 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . . . -66.56 -55.46 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.75 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 122.365 2.348 . . . . 0.0 117.101 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -91.81 -16.25 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 120.923 2.362 . . . . 0.0 114.377 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.11 19.99 6.94 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-O 116.432 -2.315 . . . . 0.0 116.746 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.38 143.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 120.697 2.249 . . . . 0.0 110.087 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.459 HD12 ' CE2' ' A' ' 94' ' ' PHE . 54.8 mt -118.05 133.69 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 111.944 -2.389 . . . . 0.0 107.842 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -115.08 170.4 8.38 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.008 1.323 . . . . 0.0 110.509 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -68.54 -50.15 54.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 119.558 -1.964 . . . . 0.0 114.926 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -63.11 -37.02 85.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 119.624 1.102 . . . . 0.0 113.308 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 99' ' ' ALA 0.275 21.8 tp10 -71.78 -24.04 61.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 121.63 2.014 . . . . 0.0 113.25 173.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.7 -48.67 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.025 2.13 . . . . 0.0 105.838 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -52.88 -39.24 62.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.499 1.52 . . . . 0.0 112.233 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.7 -55.11 22.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 120.118 1.326 . . . . 0.0 112.377 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 tt -73.22 -10.59 14.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 117.827 2.529 . . . . 0.0 117.827 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.683 ' HG3' ' HG2' ' A' ' 115' ' ' GLN . 12.6 ptm -42.8 -32.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.683 ' HG2' ' HG3' ' A' ' 114' ' ' MET . 4.4 mm100 -151.94 -26.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . 0.395 0.0 OUTLIER -139.23 -178.95 5.59 Favored 'General case' 0 C--N 1.321 -0.653 1 N-CA-C 122.305 4.187 . . . . 0.0 122.305 -161.205 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.09 84.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.63 -104.98 0.4 Allowed Glycine 0 CA--C 1.522 0.513 0 C-N-CA 123.901 0.762 . . . . 0.0 114.186 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.91 161.54 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 3.7 tp10 -93.54 125.2 54.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 120.118 -1.613 . . . . 0.0 114.602 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 120' ' ' GLU 0.265 57.1 Cg_endo -135.09 67.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.328 -0.552 0 C-N-CA 123.75 2.967 . . . . 0.0 109.72 -175.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 164.54 16.48 Favored 'General case' 0 C--N 1.322 -0.624 1 N-CA-C 127.819 6.229 . . . . 0.0 127.819 -161.006 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 p -138.63 120.65 15.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 100.379 -3.934 . . . . 0.0 100.379 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.26 -37.17 84.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.66 69.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.31 -49.74 75.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 120.353 1.433 . . . . 0.0 114.479 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.305 0.3 OUTLIER -67.53 -42.15 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 125.172 1.389 . . . . 0.0 113.344 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -65.64 -48.67 71.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.148 1.379 . . . . 0.0 111.684 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.26 -49.57 76.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 120.19 1.359 . . . . 0.0 113.031 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.672 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -32.43 69.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 116.032 -1.937 . . . . 0.0 113.223 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.81 -46.81 89.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 122.728 2.513 . . . . 0.0 110.645 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.2 -37.98 78.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 120.355 1.434 . . . . 0.0 114.138 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' ' 150' ' ' LEU . . . -83.82 -21.72 32.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.657 3.206 . . . . 0.0 119.657 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -89.32 117.07 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 124.015 3.098 . . . . 0.0 110.515 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.55 -28.58 37.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -96.0 -14.29 23.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.26 90.46 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 121.117 1.78 . . . . 0.0 115.85 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -81.73 -31.42 32.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 119.558 1.679 . . . . 0.0 115.026 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.52 17.18 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 120.484 1.493 . . . . 0.0 115.747 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.56 150.91 18.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.16 131.39 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.311 -1.768 . . . . 0.0 112.164 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -104.68 163.82 12.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.5 mt -56.99 -44.71 99.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 112.844 -3.455 . . . . 0.0 112.528 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.11 -36.82 29.39 Favored 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 124.837 3.691 . . . . 0.0 118.571 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.61 -60.47 3.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 119.631 1.105 . . . . 0.0 111.201 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.605 ' HE1' HG23 ' A' ' 90' ' ' ILE . 5.5 t80 -46.26 -51.95 13.5 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 126.174 1.79 . . . . 0.0 113.527 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.496 ' HB3' HG21 ' A' ' 90' ' ' ILE . 1.9 ptp -63.94 -34.58 78.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 116.535 -1.698 . . . . 0.0 113.437 177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -46.01 74.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 122.581 2.446 . . . . 0.0 111.631 173.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 134' ' ' ALA 0.319 0.0 OUTLIER -65.16 -26.76 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 116.193 -1.861 . . . . 0.0 113.937 177.394 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.6 mt -89.08 -58.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 122.767 2.531 . . . . 0.0 110.356 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -77.5 -3.54 41.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 120.369 3.47 . . . . 0.0 120.369 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -40.2 -39.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 125.87 3.941 . . . . 0.0 118.339 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 114.977 -2.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.77 -34.43 78.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 113.701 -3.047 . . . . 0.0 112.487 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -79.89 -57.3 3.72 Favored 'General case' 0 C--N 1.317 -0.808 2 O-C-N 80.876 -26.14 . . . . 0.0 113.476 -174.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.605 HG23 ' HE1' ' A' ' 147' ' ' PHE . 22.4 mm -66.93 -50.98 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.65 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -39.41 87.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 122.921 2.6 . . . . 0.0 111.671 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -52.9 -59.96 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 120.315 1.416 . . . . 0.0 110.128 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.84 -57.83 4.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 115.583 -2.151 . . . . 0.0 116.783 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.459 ' CE2' HD12 ' A' ' 105' ' ' ILE . 19.8 t80 -68.2 -49.82 58.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 123.324 2.784 . . . . 0.0 113.931 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . 0.333 35.9 mttt -64.99 -22.72 67.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 113.644 -3.074 . . . . 0.0 111.167 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -45.48 47.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 124.956 3.526 . . . . 0.0 108.345 167.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -52.96 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 121.919 2.145 . . . . 0.0 112.114 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . . . -66.56 -55.46 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.75 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 122.365 2.348 . . . . 0.0 117.101 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -91.81 -16.25 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 120.923 2.362 . . . . 0.0 114.377 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.11 19.99 6.94 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-O 116.432 -2.315 . . . . 0.0 116.746 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.38 143.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 120.697 2.249 . . . . 0.0 110.087 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.459 HD12 ' CE2' ' A' ' 94' ' ' PHE . 54.8 mt -118.05 133.69 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 111.944 -2.389 . . . . 0.0 107.842 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -115.08 170.4 8.38 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.008 1.323 . . . . 0.0 110.509 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -68.54 -50.15 54.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 119.558 -1.964 . . . . 0.0 114.926 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -63.11 -37.02 85.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 119.624 1.102 . . . . 0.0 113.308 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 99' ' ' ALA 0.275 21.8 tp10 -71.78 -24.04 61.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 121.63 2.014 . . . . 0.0 113.25 173.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.7 -48.67 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.025 2.13 . . . . 0.0 105.838 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -52.88 -39.24 62.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.499 1.52 . . . . 0.0 112.233 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.7 -55.11 22.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 120.118 1.326 . . . . 0.0 112.377 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 tt -73.22 -10.59 14.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 117.827 2.529 . . . . 0.0 117.827 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.683 ' HG3' ' HG2' ' A' ' 115' ' ' GLN . 12.6 ptm -42.8 -32.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.683 ' HG2' ' HG3' ' A' ' 114' ' ' MET . 15.2 mm-40 -151.94 -26.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . 0.395 0.0 OUTLIER -139.23 -178.95 5.59 Favored 'General case' 0 C--N 1.321 -0.653 1 N-CA-C 122.305 4.187 . . . . 0.0 122.305 -161.205 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.09 84.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.63 -104.98 0.4 Allowed Glycine 0 CA--C 1.522 0.513 0 C-N-CA 123.901 0.762 . . . . 0.0 114.186 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.91 161.54 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 3.7 tp10 -93.54 125.2 54.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 120.118 -1.613 . . . . 0.0 114.602 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 120' ' ' GLU 0.265 57.1 Cg_endo -135.09 67.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.328 -0.552 0 C-N-CA 123.75 2.967 . . . . 0.0 109.72 -175.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 164.54 16.48 Favored 'General case' 0 C--N 1.322 -0.624 1 N-CA-C 127.819 6.229 . . . . 0.0 127.819 -161.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 p -138.63 120.65 15.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 100.379 -3.934 . . . . 0.0 100.379 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.26 -37.17 84.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.66 69.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.31 -49.74 75.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 120.353 1.433 . . . . 0.0 114.479 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.305 0.3 OUTLIER -67.53 -42.15 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 125.172 1.389 . . . . 0.0 113.344 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -65.64 -48.67 71.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.148 1.379 . . . . 0.0 111.684 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.26 -49.57 76.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 120.19 1.359 . . . . 0.0 113.031 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.672 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -32.43 69.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 116.032 -1.937 . . . . 0.0 113.223 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.81 -46.81 89.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 122.728 2.513 . . . . 0.0 110.645 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.2 -37.98 78.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 120.355 1.434 . . . . 0.0 114.138 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' ' 150' ' ' LEU . . . -83.82 -21.72 32.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.657 3.206 . . . . 0.0 119.657 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -89.32 117.07 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 124.015 3.098 . . . . 0.0 110.515 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.55 -28.58 37.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -96.0 -14.29 23.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.26 90.46 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 121.117 1.78 . . . . 0.0 115.85 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -81.73 -31.42 32.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 119.558 1.679 . . . . 0.0 115.026 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.52 17.18 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 120.484 1.493 . . . . 0.0 115.747 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.56 150.91 18.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.16 131.39 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.311 -1.768 . . . . 0.0 112.164 -176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -104.68 163.82 12.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.5 mt -56.99 -44.71 99.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 112.844 -3.455 . . . . 0.0 112.528 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.11 -36.82 29.39 Favored 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 124.837 3.691 . . . . 0.0 118.571 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.61 -60.47 3.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 119.631 1.105 . . . . 0.0 111.201 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.605 ' HE1' HG23 ' A' ' 90' ' ' ILE . 5.5 t80 -46.26 -51.95 13.5 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 126.174 1.79 . . . . 0.0 113.527 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.496 ' HB3' HG21 ' A' ' 90' ' ' ILE . 1.9 ptp -63.94 -34.58 78.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 116.535 -1.698 . . . . 0.0 113.437 177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -46.01 74.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 122.581 2.446 . . . . 0.0 111.631 173.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 134' ' ' ALA 0.319 0.0 OUTLIER -65.16 -26.76 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 116.193 -1.861 . . . . 0.0 113.937 177.394 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.6 mt -89.08 -58.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 122.767 2.531 . . . . 0.0 110.356 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -77.5 -3.54 41.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 120.369 3.47 . . . . 0.0 120.369 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -40.2 -39.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 125.87 3.941 . . . . 0.0 118.339 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 174.904 . . . . . . . . 1 1 . 1 stop_ save_