data_2eyv_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 2eyv _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 ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 65.310000000000002 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.5 164.84 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 75.310000000000002 111.129 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -43.26 163.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.72 66.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 74.299999999999997 112.486 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -112.94 173.95 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 74.209999999999994 110.875 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -99.77 -31.93 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.219999999999999 110.854 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -78.09 -29.55 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -74.88 105.75 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 64.049999999999997 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -65.35 -33.1 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 110.915 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 10' ' ' ARG . 36.4 t -67.19 -5.65 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 72.010000000000005 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 p -96.08 -42.04 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 71.140000000000001 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE2' ' HA ' ' A' ' 10' ' ' ARG . 17.3 p-90 -111.37 30.54 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 5.6 t80 -138.34 132.74 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.916 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 120' ' ' ARG . 21.8 m95 -118.96 -71.32 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 73.349999999999994 110.91 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.01 -156.4 25.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 73.140000000000001 112.525 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' N ' ' HB3' ' A' ' 39' ' ' ASP . 26.4 ttp180 -81.24 124.87 29.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 74.129999999999995 110.888 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 11.7 mt -139.84 111.48 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.420000000000002 110.904 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -53.27 -175.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 3.8 ptp180 -68.53 -46.07 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 110.855 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.87 -37.32 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.150000000000006 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -69.76 -48.98 57.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 64.540000000000006 110.863 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' LEU . . . -60.55 -41.44 94.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 111.134 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -74.15 -39.02 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.3 -45.62 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.129999999999995 111.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.85 -30.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 75.319999999999993 110.913 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 21.7 tp -90.23 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.932 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' N ' HE22 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -81.52 62.6 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.209999999999994 110.926 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.77 74.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 64.230000000000004 112.51 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 HE22 ' N ' ' A' ' 28' ' ' GLN . 2.3 mp0 -78.97 -69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 73.400000000000006 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' GLY . 5.7 ttm180 -93.94 164.44 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' C ' ' O ' ' A' ' 31' ' ' ARG . 6.5 m170 -33.04 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.310000000000002 110.894 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . -179.31 98.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 71.310000000000002 112.461 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 31' ' ' ARG . 16.4 m -117.93 142.92 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 73.319999999999993 111.141 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CE2' ' CG1' ' A' ' 51' ' ' VAL . 2.9 m-85 -110.29 153.64 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.310000000000002 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -140.39 142.7 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 75.0 110.897 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.23 119.73 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 18' ' ' LEU . 13.8 ttm180 -93.22 147.53 22.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.851 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' HB3' ' N ' ' A' ' 17' ' ' ARG . 36.6 t0 -89.7 92.06 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.349999999999994 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -50.16 157.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.838 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 t -130.17 -65.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.857 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -40.35 -58.32 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 72.040000000000006 111.162 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 4.4 m -50.09 145.09 10.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.688 0.756 . . . . 62.030000000000001 110.839 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -18.89 36.66 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.654 2.236 . . . . 74.099999999999994 112.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.88 48.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 55.549999999999997 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' HB2' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -115.31 166.5 11.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 71.120000000000005 110.905 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -125.29 138.19 54.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 61' ' ' ILE . 94.6 t -103.92 131.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.140000000000001 111.151 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -111.85 125.7 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.958 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.7 133.51 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.881 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.658 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 2.8 m -124.06 137.17 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -106.05 136.01 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 70.420000000000002 110.821 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.533 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 10.3 tt0 -161.67 150.59 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 64.329999999999998 110.84 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.533 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 p30 36.19 42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 75.099999999999994 110.93 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.2 m 63.92 42.69 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.129999999999995 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' GLU . 15.1 mmm180 -133.95 -178.02 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 110.854 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG23 ' C ' ' A' ' 56' ' ' ARG . 93.8 t -153.64 105.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.049999999999997 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -99.94 145.49 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -116.07 134.11 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.140000000000001 110.797 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.601 ' CE2' HD11 ' A' ' 109' ' ' LEU . 61.4 m-85 -129.4 127.52 41.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.349999999999994 110.958 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 48' ' ' VAL . 30.0 mm -84.94 129.15 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 70.409999999999997 111.13 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 ' CG1' HD12 ' A' ' 89' ' ' ILE . 5.0 mp -107.05 123.93 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.030000000000001 111.108 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.411 HD21 ' N ' ' A' ' 63' ' ' ASN . 1.4 m-80 -91.78 139.32 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.899 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.120000000000005 110.864 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.4 t -37.56 -63.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 65.049999999999997 110.823 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' SER . . . 32.89 64.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 75.140000000000001 112.519 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 107.02 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 74.200000000000003 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 2.8 tpt180 -56.28 -59.53 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.615 0.721 . . . . 75.209999999999994 110.865 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 53.8 Cg_endo -69.76 129.82 18.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 71.420000000000002 112.338 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.79 51.62 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.645 2.23 . . . . 71.510000000000005 112.314 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 m -141.54 104.82 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 73.400000000000006 111.147 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.9 31.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 71.219999999999999 112.362 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.3 37.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.673 2.249 . . . . 70.430000000000007 112.384 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -99.06 155.47 36.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 73.430000000000007 110.854 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.310000000000002 112.376 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.02 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.439999999999998 111.071 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 78' ' ' PRO . 19.5 tt0 -177.78 139.84 0.41 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 71.239999999999995 110.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 77' ' ' GLN . 53.8 Cg_endo -69.73 139.73 41.04 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 63.140000000000001 112.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.21 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 72.129999999999995 112.323 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 72.209999999999994 112.34 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.68 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 72.450000000000003 112.496 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.5 m -95.22 101.26 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 71.209999999999994 111.148 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -131.75 122.54 18.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 74.239999999999995 110.877 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 150.93 68.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 74.239999999999995 112.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -79.79 158.22 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.875 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -128.39 136.92 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 75.239999999999995 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 100' ' ' LEU . 3.5 tp -131.37 132.67 44.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.928 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -128.71 139.41 52.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.904 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 HD12 ' CG1' ' A' ' 62' ' ' ILE . 8.8 tt -128.51 127.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.299999999999997 111.15 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.72 -105.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 74.239999999999995 112.525 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.77 19.6 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 75.030000000000001 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -130.07 153.55 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 62.219999999999999 110.939 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.17 156.43 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 65.430000000000007 110.861 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 100' ' ' LEU . 62.1 m-85 -151.56 -175.21 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 75.430000000000007 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -91.79 -38.66 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.430000000000007 110.913 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HD2' ' A' ' 98' ' ' PRO . 14.6 m -162.64 -177.91 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.88 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.729 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 4.3 mm? -59.32 -46.29 99.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 75.140000000000001 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.729 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.74 -24.09 30.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 71.219999999999999 112.334 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 -47.27 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.130000000000003 111.136 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 1.5 pp -77.16 -38.1 52.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.92 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' SER . 5.2 mm-40 -78.14 -40.14 38.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.420000000000002 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -70.54 -25.57 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -102.95 -4.73 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 110.935 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' CG ' HG21 ' A' ' 106' ' ' ILE . 9.5 pttt -60.96 -15.31 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 75.129999999999995 110.903 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.484 HG21 ' CG ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -134.98 -3.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 111.091 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -116.13 160.64 20.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.853 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -84.24 134.61 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 73.030000000000001 110.946 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.601 HD11 ' CE2' ' A' ' 60' ' ' TYR . 1.9 pt? -90.13 -40.37 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.140000000000001 110.933 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.505 ' N ' ' HG ' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -134.98 -72.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 71.019999999999996 110.863 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.408 ' O ' ' OE2' ' A' ' 53' ' ' GLU . 15.0 t -135.03 29.05 3.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 111.125 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 t -175.63 159.14 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 111.104 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -174.51 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 111.127 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.633 ' HG ' ' CD2' ' A' ' 35' ' ' PHE . 2.0 tt -123.77 134.57 53.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 116' ' ' GLU . 1.1 mt -129.53 179.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.349999999999994 111.157 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' CD ' ' CZ ' ' A' ' 31' ' ' ARG . 4.3 pt-20 -35.2 152.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 73.310000000000002 110.863 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.45 68.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.691 2.261 . . . . 74.140000000000001 112.339 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 34' ' ' VAL . 2.2 p -65.69 142.12 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.091 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -38.74 141.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.836 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 15' ' ' TRP . 2.4 ppt_? -71.18 -26.6 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.859 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -103.79 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -95.51 37.81 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -153.61 130.5 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.942 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -77.2 109.91 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 64.150000000000006 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 73.519999999999996 110.919 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 65.310000000000002 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.5 164.84 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 75.310000000000002 111.129 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -43.26 163.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.72 66.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 74.299999999999997 112.486 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -112.94 173.95 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 74.209999999999994 110.875 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -99.77 -31.93 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.854 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -78.09 -29.55 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.200000000000003 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -74.88 105.75 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 64.049999999999997 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -65.35 -33.1 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 110.915 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG2' ' A' ' 10' ' ' ARG . 36.4 t -67.19 -5.65 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 72.010000000000005 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 p -96.08 -42.04 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 62.039999999999999 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.542 ' CE2' ' HA ' ' A' ' 10' ' ' ARG . 17.3 p-90 -111.37 30.54 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 70.530000000000001 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 5.6 t80 -138.34 132.74 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 110.916 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.596 ' CZ3' ' HB3' ' A' ' 120' ' ' ARG . 21.8 m95 -118.96 -71.32 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 73.349999999999994 110.91 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.01 -156.4 25.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 73.140000000000001 112.525 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' N ' ' HB3' ' A' ' 39' ' ' ASP . 26.4 ttp180 -81.24 124.87 29.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 73.120000000000005 110.888 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 11.7 mt -139.84 111.48 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 54.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -53.27 -175.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.409999999999997 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.8 ptp180 -68.53 -46.07 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.855 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.87 -37.32 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.209999999999994 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -69.76 -48.98 57.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 64.540000000000006 110.863 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' LEU . . . -60.55 -41.44 94.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 111.134 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 20' ' ' ARG . 90.2 t -74.15 -39.02 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 53.240000000000002 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.3 -45.62 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.109999999999999 111.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.85 -30.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 73.230000000000004 110.913 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 118' ' ' VAL . 21.7 tp -90.23 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.310000000000002 110.932 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -81.52 62.6 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.120000000000005 110.926 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.77 74.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 54.119999999999997 112.51 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -78.97 -69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 73.400000000000006 110.942 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.589 ' HB3' HG13 ' A' ' 34' ' ' VAL . 5.7 ttm180 -93.94 164.44 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' C ' ' O ' ' A' ' 31' ' ' ARG . 4.7 m-70 -33.04 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.310000000000002 110.894 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . -179.31 98.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 71.310000000000002 112.461 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.845 HG21 HG23 ' A' ' 118' ' ' VAL . 16.4 m -117.93 142.92 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 64.329999999999998 111.141 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.777 ' CD2' HG12 ' A' ' 51' ' ' VAL . 2.9 m-85 -110.29 153.64 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.120000000000005 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -140.39 142.7 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.329999999999998 110.897 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.23 119.73 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.030000000000001 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 18' ' ' LEU . 13.8 ttm180 -93.22 147.53 22.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.851 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' N ' ' A' ' 17' ' ' ARG . 36.6 t0 -89.7 92.06 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 72.209999999999994 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.753 ' OG ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -50.16 157.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.838 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 t -130.17 -65.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 65.230000000000004 110.857 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -40.35 -58.32 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 64.430000000000007 111.162 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 4.4 m -50.09 145.09 10.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.688 0.756 . . . . 34.119999999999997 110.839 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -18.89 36.66 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.654 2.236 . . . . 72.349999999999994 112.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.88 48.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 55.549999999999997 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HB2' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -115.31 166.5 11.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 62.100000000000001 110.905 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -125.29 138.19 54.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 61' ' ' ILE . 94.6 t -103.92 131.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.120000000000005 111.151 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -111.85 125.7 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.958 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -107.7 133.51 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 35' ' ' PHE . 2.8 m -124.06 137.17 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -106.05 136.01 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 70.420000000000002 110.821 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 10.3 tt0 -161.67 150.59 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 54.329999999999998 110.84 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 p30 36.19 42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 75.099999999999994 110.93 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.2 m 63.92 42.69 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 52.219999999999999 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' GLU . 15.1 mmm180 -133.95 -178.02 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.230000000000004 110.854 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 27' ' ' LEU . 93.8 t -153.64 105.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.049999999999997 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' SER . 1.3 m -99.94 145.49 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 62.399999999999999 110.86 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -116.07 134.11 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 60.119999999999997 110.797 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 109' ' ' LEU . 61.4 m-85 -129.4 127.52 41.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.349999999999994 110.958 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.97 ' CD1' HG22 ' A' ' 48' ' ' VAL . 30.0 mm -84.94 129.15 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 70.409999999999997 111.13 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.645 ' CG1' HD12 ' A' ' 89' ' ' ILE . 5.0 mp -107.05 123.93 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.030000000000001 111.108 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.78 139.32 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 61.5 110.899 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.120000000000005 110.864 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.4 t -37.56 -63.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 51.409999999999997 110.823 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' SER . . . 32.89 64.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 75.140000000000001 112.519 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 107.02 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 73.140000000000001 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.511 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 2.8 tpt180 -56.28 -59.53 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.615 0.721 . . . . 72.409999999999997 110.865 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 53.8 Cg_endo -69.76 129.82 18.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 62.119999999999997 112.338 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.79 51.62 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.645 2.23 . . . . 71.510000000000005 112.314 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 71' ' ' VAL . 14.1 m -141.54 104.82 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 73.400000000000006 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' VAL . 53.7 Cg_endo -69.75 135.9 31.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 71.219999999999999 112.362 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.3 37.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.673 2.249 . . . . 70.430000000000007 112.384 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -99.06 155.47 36.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 73.430000000000007 110.854 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.310000000000002 112.376 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.02 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 60.130000000000003 111.071 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 78' ' ' PRO . 19.5 tt0 -177.78 139.84 0.41 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 71.239999999999995 110.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 77' ' ' GLN . 53.8 Cg_endo -69.73 139.73 41.04 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 63.140000000000001 112.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.21 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 72.129999999999995 112.323 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 64.040000000000006 112.34 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.68 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 72.450000000000003 112.496 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 82' ' ' VAL . 16.5 m -95.22 101.26 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 62.149999999999999 111.148 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -131.75 122.54 18.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 74.239999999999995 110.877 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 150.93 68.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 74.239999999999995 112.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -79.79 158.22 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.875 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -128.39 136.92 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 75.239999999999995 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 97' ' ' LEU . 3.5 tp -131.37 132.67 44.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.928 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -128.71 139.41 52.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.904 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.645 HD12 ' CG1' ' A' ' 62' ' ' ILE . 8.8 tt -128.51 127.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.15 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.72 -105.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 74.239999999999995 112.525 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.77 19.6 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 75.030000000000001 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -130.07 153.55 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.109999999999999 110.939 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.17 156.43 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.130000000000003 110.861 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 100' ' ' LEU . 62.1 m-85 -151.56 -175.21 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 75.430000000000007 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -91.79 -38.66 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 40.229999999999997 110.913 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 14.6 m -162.64 -177.91 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.88 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.744 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 4.3 mm? -59.32 -46.29 99.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 71.549999999999997 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.744 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.74 -24.09 30.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 71.219999999999999 112.334 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 96' ' ' SER . . . -67.49 -47.27 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.130000000000003 111.136 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 1.5 pp -77.16 -38.1 52.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.040000000000006 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.5 110.92 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' SER . 5.2 mm-40 -78.14 -40.14 38.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.420000000000002 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -70.54 -25.57 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -102.95 -4.73 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 110.935 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.568 ' CG ' HG23 ' A' ' 106' ' ' ILE . 9.5 pttt -60.96 -15.31 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 75.129999999999995 110.903 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG23 ' CG ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -134.98 -3.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 111.091 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -116.13 160.64 20.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.853 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -84.24 134.61 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 64.400000000000006 110.946 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 109' ' ' LEU . 1.9 pt? -90.13 -40.37 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.140000000000001 110.933 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.519 ' N ' ' HG ' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -134.98 -72.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.299999999999997 110.863 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.408 ' O ' ' OE2' ' A' ' 53' ' ' GLU . 15.0 t -135.03 29.05 3.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 111.125 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 t -175.63 159.14 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.104 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -83.6 -174.51 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 111.127 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 115' ' ' ILE . 2.0 tt -123.77 134.57 53.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.430000000000007 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.667 ' N ' HD23 ' A' ' 114' ' ' LEU . 1.1 mt -129.53 179.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 55.109999999999999 111.157 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 115' ' ' ILE . 4.3 pt-20 -35.2 152.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 73.310000000000002 110.863 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.45 68.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.691 2.261 . . . . 74.140000000000001 112.339 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.845 HG23 HG21 ' A' ' 34' ' ' VAL . 2.2 p -65.69 142.12 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 64.310000000000002 111.091 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -38.74 141.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 110.836 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 2.4 ppt_? -71.18 -26.6 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.859 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -103.79 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -95.51 37.81 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 73.010000000000005 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -153.61 130.5 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.942 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -77.2 109.91 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 64.150000000000006 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 72.200000000000003 110.919 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 65.31 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.5 164.84 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 75.31 111.129 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -43.26 163.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.72 66.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 74.3 112.486 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -112.94 173.95 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 74.21 110.875 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -99.77 -31.93 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.854 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -78.09 -29.55 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.2 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -74.88 105.75 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 64.05 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -65.35 -33.1 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.915 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG2' ' A' ' 10' ' ' ARG . 36.4 t -67.19 -5.65 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 p -96.08 -42.04 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 62.04 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.542 ' CE2' ' HA ' ' A' ' 10' ' ' ARG . 17.3 p-90 -111.37 30.54 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 70.53 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 5.6 t80 -138.34 132.74 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.916 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.596 ' CZ3' ' HB3' ' A' ' 120' ' ' ARG . 21.8 m95 -118.96 -71.32 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 73.35 110.91 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.01 -156.4 25.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 73.14 112.525 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' N ' ' HB3' ' A' ' 39' ' ' ASP . 26.4 ttp180 -81.24 124.87 29.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 73.12 110.888 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 11.7 mt -139.84 111.48 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 54.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -53.27 -175.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.41 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.8 ptp180 -68.53 -46.07 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.855 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.87 -37.32 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -69.76 -48.98 57.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 64.54 110.863 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' LEU . . . -60.55 -41.44 94.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.134 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 20' ' ' ARG . 90.2 t -74.15 -39.02 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 53.24 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.3 -45.62 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.85 -30.42 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.913 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HG21 ' A' ' 118' ' ' VAL . 21.7 tp -90.23 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.932 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' N ' HE22 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -81.52 62.6 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.926 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.77 74.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 54.12 112.51 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.438 HE22 ' N ' ' A' ' 28' ' ' GLN . 2.3 mp0 -78.97 -69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 73.4 110.942 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.589 ' HB3' HG13 ' A' ' 34' ' ' VAL . 5.7 ttm180 -93.94 164.44 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' C ' ' O ' ' A' ' 31' ' ' ARG . 6.5 m170 -33.04 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.894 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . -179.31 98.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 71.31 112.461 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.845 HG21 HG23 ' A' ' 118' ' ' VAL . 16.4 m -117.93 142.92 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 64.33 111.141 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.777 ' CD2' HG12 ' A' ' 51' ' ' VAL . 2.9 m-85 -110.29 153.64 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -140.39 142.7 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.33 110.897 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.23 119.73 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.03 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 18' ' ' LEU . 13.8 ttm180 -93.22 147.53 22.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.851 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' N ' ' A' ' 17' ' ' ARG . 36.6 t0 -89.7 92.06 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.753 ' OG ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -50.16 157.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.838 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 t -130.17 -65.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 65.23 110.857 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -40.35 -58.32 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 64.43 111.162 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 4.4 m -50.09 145.09 10.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.688 0.756 . . . . 34.12 110.839 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -18.89 36.66 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.654 2.236 . . . . 72.35 112.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.88 48.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 55.55 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HB2' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -115.31 166.5 11.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 62.1 110.905 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -125.29 138.19 54.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 61' ' ' ILE . 94.6 t -103.92 131.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.12 111.151 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -111.85 125.7 54.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.958 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -107.7 133.51 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.777 HG12 ' CD2' ' A' ' 35' ' ' PHE . 2.8 m -124.06 137.17 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.12 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -106.05 136.01 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.821 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 10.3 tt0 -161.67 150.59 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 54.33 110.84 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 p30 36.19 42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 75.1 110.93 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.2 m 63.92 42.69 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 52.22 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 53' ' ' GLU . 15.1 mmm180 -133.95 -178.02 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.854 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 27' ' ' LEU . 93.8 t -153.64 105.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.05 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' SER . 1.3 m -99.94 145.49 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 62.4 110.86 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -116.07 134.11 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 60.12 110.797 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 109' ' ' LEU . 61.4 m-85 -129.4 127.52 41.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.958 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.97 ' CD1' HG22 ' A' ' 48' ' ' VAL . 30.0 mm -84.94 129.15 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 70.41 111.13 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.645 ' CG1' HD12 ' A' ' 89' ' ' ILE . 5.0 mp -107.05 123.93 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.108 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 63' ' ' ASN . 1.4 m-80 -91.78 139.32 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 61.5 110.899 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.864 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.4 t -37.56 -63.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 51.41 110.823 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' SER . . . 32.89 64.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 75.14 112.519 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 107.02 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 73.14 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.511 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 2.8 tpt180 -56.28 -59.53 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.615 0.721 . . . . 72.41 110.865 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 53.8 Cg_endo -69.76 129.82 18.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 62.12 112.338 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.79 51.62 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.645 2.23 . . . . 71.51 112.314 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 71' ' ' VAL . 14.1 m -141.54 104.82 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 73.4 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' VAL . 53.7 Cg_endo -69.75 135.9 31.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 71.22 112.362 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -16.3 37.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.673 2.249 . . . . 70.43 112.384 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -99.06 155.47 36.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 73.43 110.854 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.31 112.376 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.02 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 60.13 111.071 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 78' ' ' PRO . 19.5 tt0 -177.78 139.84 0.41 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 71.24 110.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 77' ' ' GLN . 53.8 Cg_endo -69.73 139.73 41.04 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 63.14 112.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.21 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 72.13 112.323 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 64.04 112.34 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.68 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 72.45 112.496 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 82' ' ' VAL . 16.5 m -95.22 101.26 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 62.15 111.148 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -131.75 122.54 18.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 74.24 110.877 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 150.93 68.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 74.24 112.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -79.79 158.22 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.875 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -128.39 136.92 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 75.24 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 97' ' ' LEU . 3.5 tp -131.37 132.67 44.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.928 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -128.71 139.41 52.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.904 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.645 HD12 ' CG1' ' A' ' 62' ' ' ILE . 8.8 tt -128.51 127.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.15 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.72 -105.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 74.24 112.525 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.77 19.6 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 75.03 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -130.07 153.55 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.11 110.939 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.17 156.43 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.13 110.861 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 100' ' ' LEU . 62.1 m-85 -151.56 -175.21 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -91.79 -38.66 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 40.23 110.913 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 14.6 m -162.64 -177.91 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.88 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.744 ' N ' ' HD2' ' A' ' 98' ' ' PRO . 4.3 mm? -59.32 -46.29 99.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 71.55 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.744 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.74 -24.09 30.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 71.22 112.334 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 96' ' ' SER . . . -67.49 -47.27 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.13 111.136 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 1.5 pp -77.16 -38.1 52.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.897 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.39 -34.97 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.5 110.92 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' SER . 5.2 mm-40 -78.14 -40.14 38.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -70.54 -25.57 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -102.95 -4.73 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 74.23 110.935 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.568 ' CG ' HG23 ' A' ' 106' ' ' ILE . 9.5 pttt -60.96 -15.31 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 75.13 110.903 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG23 ' CG ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -134.98 -3.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.091 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -116.13 160.64 20.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.853 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -84.24 134.61 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 64.4 110.946 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 109' ' ' LEU . 1.9 pt? -90.13 -40.37 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.933 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.519 ' N ' ' HG ' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -134.98 -72.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.3 110.863 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.408 ' O ' ' OE2' ' A' ' 53' ' ' GLU . 15.0 t -135.03 29.05 3.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.125 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 t -175.63 159.14 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.13 111.104 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -83.6 -174.51 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 72.1 111.127 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 115' ' ' ILE . 2.0 tt -123.77 134.57 53.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.667 ' N ' HD23 ' A' ' 114' ' ' LEU . 1.1 mt -129.53 179.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 55.11 111.157 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 115' ' ' ILE . 4.3 pt-20 -35.2 152.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 73.31 110.863 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.45 68.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.691 2.261 . . . . 74.14 112.339 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.845 HG23 HG21 ' A' ' 34' ' ' VAL . 2.2 p -65.69 142.12 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 64.31 111.091 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -38.74 141.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.836 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 2.4 ppt_? -71.18 -26.6 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.859 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -103.79 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -95.51 37.81 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -153.61 130.5 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.942 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -77.2 109.91 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 64.15 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 72.2 110.919 -179.898 . . . . . . . . 0 0 . 1 stop_ save_