data_2eyy_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 2eyy _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 ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.71 -39.72 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.51 -155.89 25.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -91.91 119.66 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -132.16 -55.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 9' ' ' GLU . 4.4 m-20 -111.6 115.59 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.4 m -52.24 -26.58 12.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 98' ' ' PRO . 2.0 pm0 -105.16 -20.24 13.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.015 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 57.19 106.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -73.34 -47.6 41.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.84 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 t -66.98 -1.18 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.145 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.46 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -99.23 -63.22 1.14 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.8 ' CZ3' ' HB ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -124.93 -33.44 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -177.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 p90 -109.23 103.62 12.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.315 0.579 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.496 ' CZ2' ' HA ' ' A' ' 119' ' ' SER . 7.2 m95 -90.8 -72.27 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.094 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -174.45 46.08 0.14 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.559 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 8.2 ptt-85 45.58 167.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 172.2 -156.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.334 178.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.2 m -101.16 130.82 47.31 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.139 -0.351 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -31.27 -37.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.0 pt20 -61.91 -41.61 98.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.168 0.509 . . . . 0.0 110.021 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HB3' ' HG ' ' A' ' 18' ' ' LEU . 1.4 tt0 -62.2 -59.13 5.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.954 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 26' ' ' LEU . . . -51.41 -50.18 60.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.558 0.694 . . . . 0.0 109.351 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 HG11 ' A' ' 57' ' ' VAL . 21.0 t -55.92 -47.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.149 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.08 -46.7 44.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.975 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -81.55 -46.34 14.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -42.72 -64.36 0.63 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -49.16 -27.97 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.314 . . . . 0.0 111.667 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.05 69.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.199 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 118' ' ' VAL . 1.6 mp0 -101.42 -171.66 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.088 0.471 . . . . 0.0 111.704 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 138.74 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -41.21 -40.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.889 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' A' ' 35' ' ' PHE . . . -94.08 37.65 3.35 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.916 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.658 ' CG1' ' HA ' ' A' ' 118' ' ' VAL . 10.8 t -101.93 142.49 16.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -151.26 134.02 15.69 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' NH2' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -123.68 168.87 12.11 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.698 178.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.8 ' HB ' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 p -111.15 152.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' NE ' ' CD1' ' A' ' 18' ' ' LEU . 16.3 mmt180 -137.5 -177.26 4.71 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.968 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 28.0 p-10 -92.02 144.49 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.64 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.99 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -56.54 -18.37 11.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.606 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 p -99.14 -49.82 4.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 32.1 m -86.63 141.54 34.13 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.039 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.89 -35.41 21.02 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.674 2.25 . . . . 0.0 113.091 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.89 72.55 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.81 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 4.7 m-20 -156.25 168.25 27.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CG ' ' CD2' ' A' ' 97' ' ' LEU . 73.5 m-85 -107.38 168.96 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.64 ' CG2' ' HA ' ' A' ' 40' ' ' SER . 2.5 t -141.25 130.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.804 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD11 HG13 ' A' ' 51' ' ' VAL . 1.7 tm? -100.44 130.33 46.52 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 59' ' ' HIS . 2.0 t -108.98 137.88 46.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.552 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 51' ' ' VAL . 30.4 m -140.71 121.05 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.462 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 6.4 t -64.86 90.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.984 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 4.0 tt0 -99.47 118.74 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.946 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 54.5 m-80 69.61 -92.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 3.3 p -113.92 -32.12 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 -162.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.696 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 ' O ' HG21 ' A' ' 57' ' ' VAL . 1.9 m -137.57 115.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.102 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 m -85.29 167.51 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 23.7 m80 -122.93 149.47 44.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.347 0.594 . . . . 0.0 111.377 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' HD2' HD12 ' A' ' 49' ' ' LEU . 89.8 m-85 -129.18 116.48 19.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.439 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mm -72.52 127.8 34.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.378 0.609 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 2.7 mp -106.38 149.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.712 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -116.8 108.68 16.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 111.471 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.476 ' CB ' HD21 ' A' ' 87' ' ' LEU . 6.4 t -103.5 147.01 27.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.853 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -104.78 -58.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.856 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.28 77.97 1.34 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.43 -34.84 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.228 2.619 . . . . 0.0 113.15 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -122.19 159.46 51.91 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 111.498 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.11 146.02 24.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.876 2.384 . . . . 0.0 112.254 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.27 -43.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.784 2.322 . . . . 0.0 112.996 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 73' ' ' PRO . 30.9 m -128.32 150.91 75.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.887 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 5.3 Cg_endo -49.02 -46.84 23.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.367 2.711 . . . . 0.0 113.757 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 72' ' ' PRO . 34.3 Cg_endo -59.83 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.074 . . . . 0.0 112.004 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 p 78.98 108.27 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -46.38 -63.81 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.831 2.354 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -162.58 126.39 3.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.285 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 38.6 mm-40 -150.91 85.8 5.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.83 125.35 14.23 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.827 2.351 . . . . 0.0 112.637 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.38 171.29 13.82 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.743 2.295 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 -73.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.718 2.278 . . . . 0.0 112.35 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.66 36.57 7.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.566 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 24.0 m -149.17 -46.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.196 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.71 103.44 0.37 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.661 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.1 Cg_exo -68.67 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.235 1.957 . . . . 0.0 111.34 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -55.45 -27.02 45.5 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.674 0.274 . . . . 0.0 111.571 -179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER 61.71 -73.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 97' ' ' LEU . 1.6 tm? -101.45 141.32 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 92' ' ' GLN . 30.5 ttp180 -159.98 151.51 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.095 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.444 HG21 ' HG ' ' A' ' 100' ' ' LEU . 8.0 tt -143.06 134.42 23.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.75 -139.28 23.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.787 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.57 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.283 . . . . 0.0 111.562 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -127.74 -177.0 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -136.11 138.45 42.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.525 0.678 . . . . 0.0 112.617 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CD2' ' CD2' ' A' ' 100' ' ' LEU . 46.2 m-85 -138.74 159.71 41.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.396 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.11 -57.93 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 16.2 m -140.52 171.2 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.141 0.496 . . . . 0.0 111.554 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.615 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 2.4 tp -63.91 -57.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.205 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 3.1 Cg_endo -47.03 -43.12 25.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.028 1.819 . . . . 0.0 111.234 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.33 85.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.278 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.508 ' CD2' ' CD2' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -51.08 -49.64 60.26 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -60.36 -19.91 57.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.55 -178.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.81 -24.3 23.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -92.75 -49.27 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -63.77 -1.67 1.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.621 ' HG3' HD12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.7 -20.71 23.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.621 HD12 ' HG3' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -139.39 5.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.495 ' HB2' ' HA ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -88.41 -23.76 23.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 77.93 109.1 0.07 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.785 0.326 . . . . 0.0 110.679 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.37 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' A' ' 111' ' ' THR . 8.3 t70 -125.61 -0.73 7.45 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 0.0 111.404 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.464 ' O ' ' CZ ' ' A' ' 108' ' ' TYR . 4.5 t 169.16 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.176 0.512 . . . . 0.0 109.634 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.1 t -111.03 152.77 26.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.279 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.426 ' O ' ' CZ ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -112.02 156.74 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.593 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.81 140.42 30.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.399 179.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 33' ' ' GLY . 4.0 mp -123.76 -61.56 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.764 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HB2' ' CD ' ' A' ' 117' ' ' PRO . 12.5 pt-20 -149.87 167.55 12.78 Favored Pre-proline 0 N--CA 1.456 -0.171 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.717 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.42 ' CD ' ' HB2' ' A' ' 116' ' ' GLU . 3.2 Cg_exo -73.62 137.92 25.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.957 2.438 . . . . 0.0 112.076 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.658 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 14.1 p -49.18 -54.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.637 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.496 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 60.6 p 44.52 79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 0.0 111.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.435 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -63.78 -37.34 87.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.743 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 33.4 t 177.07 -166.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 64.45 137.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.417 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 124' ' ' GLY . 0.0 OUTLIER -162.89 146.85 11.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.855 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' A' ' 123' ' ' GLN . . . -61.86 79.96 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.945 -0.571 . . . . 0.0 113.07 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.9 p -113.16 -54.51 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.984 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.55 2.31 55.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.234 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.27 30.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 111.435 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp 32.72 74.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.097 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 99.66 11.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.202 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.05 -77.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.4 16.62 10.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.272 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -56.83 131.48 49.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.675 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 2.2 pm0 39.65 -164.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' C ' ' HG2' ' A' ' 160' ' ' ARG . . . -179.9 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 160' ' ' ARG . 3.9 mt-10 -86.99 104.96 16.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.678 ' HD1' ' N ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -170.15 26.16 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 188' ' ' GLU . 3.5 m -143.19 138.55 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.429 0.633 . . . . 0.0 112.417 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 188' ' ' GLU . 9.3 ttt180 -114.39 111.0 20.76 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.723 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.429 ' CB ' ' CD1' ' A' ' 153' ' ' PHE . . . -43.79 156.5 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.091 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -127.23 17.42 7.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.968 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -151.76 141.79 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 111.529 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.4 146.12 25.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.528 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -162.78 125.2 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -58.32 -50.7 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 117.55 138.48 6.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.57 -42.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.754 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.23 147.35 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.766 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.39 -23.48 64.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.93 -30.88 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.41 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.439 ' O ' ' HD3' ' A' ' 152' ' ' PRO . 1.0 OUTLIER -78.16 130.12 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 111.356 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER -78.93 108.77 8.92 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.058 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.458 ' HD2' ' HD2' ' A' ' 178' ' ' LYS . 90.6 Cg_endo -83.74 104.95 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.138 1.892 . . . . 0.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CD1' ' CB ' ' A' ' 139' ' ' ALA . 12.3 p90 -122.45 158.18 30.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 145.93 29.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.43 127.88 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . 0.473 ' HA2' ' NE ' ' A' ' 138' ' ' ARG . . . 92.88 -0.13 69.38 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.74 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.74 126.45 30.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.553 0.677 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 190' ' ' TYR . 1.4 mm -86.05 99.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.028 0.442 . . . . 0.0 110.603 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 137' ' ' VAL . 0.0 OUTLIER -93.52 175.91 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 -179.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 172' ' ' ALA . 0.0 OUTLIER -132.99 115.72 15.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.09 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 171' ' ' ASN . 5.2 mm -60.43 94.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.227 0.537 . . . . 0.0 110.739 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 171' ' ' ASN . 0.2 OUTLIER -70.13 -8.15 47.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.171 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 168.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 170' ' ' TRP . 11.3 ptpt -140.65 74.47 27.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.921 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 170' ' ' TRP . 9.9 Cg_endo -49.92 -64.42 0.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.52 2.146 . . . . 0.0 111.351 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 169' ' ' TRP . 0.3 OUTLIER -140.12 168.69 19.21 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 121.189 0.518 . . . . 0.0 110.996 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -74.02 10.36 1.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.633 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.534 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 0.0 OUTLIER -119.04 12.62 12.79 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.534 ' HB3' ' O ' ' A' ' 168' ' ' GLN . 0.8 OUTLIER 162.1 132.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.213 0.605 . . . . 0.0 109.586 178.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.543 ' O ' ' HA ' ' A' ' 181' ' ' MET . 33.0 m0 -120.19 -168.95 1.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 162' ' ' ARG . 0.1 OUTLIER -119.06 133.02 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 160' ' ' ARG . . . -153.4 152.08 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -89.53 137.96 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.018 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.66 164.02 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 0.0 111.294 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -26.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.888 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -36.99 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.083 0.468 . . . . 0.0 110.3 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . 128.92 -14.89 5.95 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.458 ' HD2' ' HD2' ' A' ' 152' ' ' PRO . 0.1 OUTLIER -86.13 164.48 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 172' ' ' ALA . 0.0 OUTLIER -120.3 -177.06 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.515 0.674 . . . . 0.0 111.761 -179.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.499 ' N ' ' HG ' ' A' ' 151' ' ' LEU . . . 160.02 -157.74 29.03 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.543 ' HA ' ' O ' ' A' ' 170' ' ' TRP . 0.1 OUTLIER -74.34 151.38 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.429 . . . . 0.0 111.122 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.423 HD13 ' CD1' ' A' ' 161' ' ' ILE . 2.1 pp -141.42 166.6 21.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.466 ' O ' ' CG2' ' A' ' 187' ' ' VAL . 2.3 Cg_endo -75.88 89.03 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.207 1.938 . . . . 0.0 111.769 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 185' ' ' PRO . 1.6 m -72.17 -35.13 3.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.396 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 184' ' ' VAL . 72.2 Cg_endo -79.47 -7.17 14.82 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.154 1.903 . . . . 0.0 113.249 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' TYR . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 185' ' ' PRO . 0.3 OUTLIER -167.22 98.94 0.52 Allowed 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -137.0 168.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 138' ' ' ARG . 26.4 mt-10 -102.68 107.81 18.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 136' ' ' TYR . 1.4 mptp? -71.18 72.31 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.515 ' O ' ' HD3' ' A' ' 192' ' ' PRO . 16.9 t80 -100.22 113.17 25.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.89 105.18 0.52 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.778 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 190' ' ' TYR . 66.4 Cg_endo -90.4 124.74 1.11 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.789 2.326 . . . . 0.0 113.688 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ALA . . . . . . . . . . . . . . . 165.56 114.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.869 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 7.0 t 171.12 -33.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -111.79 -71.0 0.78 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 28.3 t 58.92 41.63 20.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 110.562 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.21 17.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 0.0 111.329 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' SER . . . . . . . . . . . . . 89.8 p 52.46 108.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.652 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -71.67 -55.8 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.351 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.11 -66.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 38.2 mm 61.76 104.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -160.27 85.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -111.63 -67.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.71 -39.72 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.51 -155.89 25.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -91.91 119.66 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -132.16 -55.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' GLU . 4.4 m-20 -111.6 115.59 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.4 m -52.24 -26.58 12.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 98' ' ' PRO . 2.0 pm0 -105.16 -20.24 13.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.015 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 57.19 106.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -73.34 -47.6 41.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.84 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 t -66.98 -1.18 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.145 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -99.23 -63.22 1.14 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CH2' HD21 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -124.93 -33.44 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -177.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 p90 -109.23 103.62 12.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.315 0.579 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 119' ' ' SER . 7.2 m95 -90.8 -72.27 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.094 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -174.45 46.08 0.14 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.559 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' C ' HD13 ' A' ' 18' ' ' LEU . 8.2 ptt-85 45.58 167.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 172.2 -156.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.334 178.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.2 m -101.16 130.82 47.31 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.139 -0.351 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -31.27 -37.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.0 pt20 -61.91 -41.61 98.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.168 0.509 . . . . 0.0 110.021 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.64 ' HB3' ' HG ' ' A' ' 18' ' ' LEU . 1.4 tt0 -62.2 -59.13 5.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.954 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -51.41 -50.18 60.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.558 0.694 . . . . 0.0 109.351 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 57' ' ' VAL . 21.0 t -55.92 -47.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.149 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 22' ' ' GLU . . . -49.08 -46.7 44.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.975 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -81.55 -46.34 14.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -42.72 -64.36 0.63 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -27.97 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.314 . . . . 0.0 111.667 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.05 69.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.199 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.637 ' HB3' HG21 ' A' ' 34' ' ' VAL . 14.9 mp0 -101.42 -171.66 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.088 0.471 . . . . 0.0 111.704 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.724 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -55.15 138.74 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -41.21 -40.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.889 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' A' ' 35' ' ' PHE . . . -94.08 37.65 3.35 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.916 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' HB3' ' A' ' 31' ' ' ARG . 10.8 t -101.93 142.49 16.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.779 ' CD2' HD12 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -151.26 134.02 15.69 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.765 HD21 ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -123.68 168.87 12.11 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.698 178.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.815 ' HB ' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 p -111.15 152.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.682 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 16.3 mmt180 -137.5 -177.26 4.71 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.968 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.519 ' C ' HG23 ' A' ' 48' ' ' VAL . 28.0 p-10 -92.02 144.49 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.99 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -56.54 -18.37 11.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.606 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 p -99.14 -49.82 4.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 32.1 m -86.63 141.54 34.13 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.039 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.89 -35.41 21.02 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.674 2.25 . . . . 0.0 113.091 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.89 72.55 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.81 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 4.7 m-20 -156.25 168.25 27.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CG ' ' CD2' ' A' ' 97' ' ' LEU . 73.5 m-85 -107.38 168.96 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 t -141.25 130.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.804 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.806 HD11 HG13 ' A' ' 51' ' ' VAL . 1.7 tm? -100.44 130.33 46.52 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.635 ' HB3' HD23 ' A' ' 36' ' ' LEU . 2.0 t -108.98 137.88 46.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.552 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.806 HG13 HD11 ' A' ' 49' ' ' LEU . 30.4 m -140.71 121.05 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 6.4 t -64.86 90.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.984 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 4.0 tt0 -99.47 118.74 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.946 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 54.5 m-80 69.61 -92.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -113.92 -32.12 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 -162.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.696 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 24' ' ' VAL . 1.9 m -137.57 115.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.102 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 m -85.29 167.51 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m-70 -122.93 149.47 44.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.347 0.594 . . . . 0.0 111.377 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.581 ' HB3' HD11 ' A' ' 89' ' ' ILE . 89.8 m-85 -129.18 116.48 19.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.439 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 HG22 ' A' ' 48' ' ' VAL . 5.4 mm -72.52 127.8 34.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.378 0.609 . . . . 0.0 111.826 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 87' ' ' LEU . 2.7 mp -106.38 149.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.712 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 87' ' ' LEU . 8.4 m-20 -116.8 108.68 16.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 111.471 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' HD23 ' A' ' 87' ' ' LEU . 6.4 t -103.5 147.01 27.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.853 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -104.78 -58.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.856 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.28 77.97 1.34 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HG3' ' HG2' ' A' ' 86' ' ' ARG . 6.1 Cg_exo -79.43 -34.84 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.228 2.619 . . . . 0.0 113.15 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -122.19 159.46 51.91 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 111.498 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.11 146.02 24.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.876 2.384 . . . . 0.0 112.254 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.27 -43.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.784 2.322 . . . . 0.0 112.996 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 73' ' ' PRO . 30.9 m -128.32 150.91 75.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.887 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 5.3 Cg_endo -49.02 -46.84 23.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.367 2.711 . . . . 0.0 113.757 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 72' ' ' PRO . 34.3 Cg_endo -59.83 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.074 . . . . 0.0 112.004 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 p 78.98 108.27 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -46.38 -63.81 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.831 2.354 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -162.58 126.39 3.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.285 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 38.6 mm-40 -150.91 85.8 5.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.83 125.35 14.23 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.827 2.351 . . . . 0.0 112.637 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.38 171.29 13.82 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.743 2.295 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 -73.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.718 2.278 . . . . 0.0 112.35 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.66 36.57 7.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.566 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 83' ' ' SER . 24.0 m -149.17 -46.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.196 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.483 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.71 103.44 0.37 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.669 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.1 Cg_exo -68.67 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.235 1.957 . . . . 0.0 111.34 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -55.45 -27.02 45.5 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.674 0.274 . . . . 0.0 111.571 -179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER 61.71 -73.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 88' ' ' ARG . 1.6 tm? -101.45 141.32 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.712 ' N ' HD13 ' A' ' 87' ' ' LEU . 30.5 ttp180 -159.98 151.51 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.095 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.588 HG22 HD21 ' A' ' 100' ' ' LEU . 8.0 tt -143.06 134.42 23.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.75 -139.28 23.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.787 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.57 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.283 . . . . 0.0 111.562 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -127.74 -177.0 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -136.11 138.45 42.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.525 0.678 . . . . 0.0 112.617 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CD2' ' CD2' ' A' ' 100' ' ' LEU . 46.2 m-85 -138.74 159.71 41.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.396 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 4.3 m-20 -60.11 -57.93 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 16.2 m -140.52 171.2 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.141 0.496 . . . . 0.0 111.554 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 2.4 tp -63.91 -57.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.205 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 3.1 Cg_endo -47.03 -43.12 25.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.028 1.819 . . . . 0.0 111.234 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -62.65 -37.33 85.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.588 HD21 HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -51.08 -49.64 60.26 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.973 HD21 ' CH2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -60.36 -19.91 57.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.55 -178.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -87.81 -24.3 23.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.554 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -92.75 -49.27 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.581 ' HD2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -63.77 -1.67 1.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.964 ' HG3' HG23 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.7 -20.71 23.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.964 HG23 ' HG3' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -139.39 5.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -88.41 -23.76 23.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' HD1' ' HG1' ' A' ' 113' ' ' THR . 0.0 OUTLIER 77.93 109.1 0.07 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.785 0.326 . . . . 0.0 110.679 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 114' ' ' LEU . 3.7 mp -65.37 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.5 ' O ' ' HB ' ' A' ' 111' ' ' THR . 8.3 t70 -125.61 -0.73 7.45 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 0.0 111.404 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 110' ' ' ASP . 4.5 t 169.16 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.176 0.512 . . . . 0.0 109.634 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.1 t -111.03 152.77 26.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.279 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.506 ' HG1' ' HD1' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -112.02 156.74 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.779 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.81 140.42 30.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.399 179.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.544 HD12 ' HE2' ' A' ' 35' ' ' PHE . 4.0 mp -123.76 -61.56 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.764 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 117' ' ' PRO . 12.5 pt-20 -149.87 167.55 12.78 Favored Pre-proline 0 N--CA 1.456 -0.171 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.717 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 116' ' ' GLU . 3.2 Cg_exo -73.62 137.92 25.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.957 2.438 . . . . 0.0 112.076 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.862 HG21 HD12 ' A' ' 26' ' ' LEU . 14.1 p -49.18 -54.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.637 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.544 ' N ' HG13 ' A' ' 118' ' ' VAL . 60.6 p 44.52 79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 0.0 111.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -63.78 -37.34 87.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.743 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 33.4 t 177.07 -166.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 64.45 137.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.417 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 124' ' ' GLY . 1.5 tt0 -162.89 146.85 11.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.855 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' A' ' 123' ' ' GLN . . . -61.86 79.96 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.945 -0.571 . . . . 0.0 113.07 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.9 p -113.16 -54.51 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.984 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.55 2.31 55.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.234 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.27 30.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 111.435 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.635 HD12 ' N ' ' A' ' 128' ' ' ILE . 3.9 mp 32.72 74.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.097 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 99.66 11.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.202 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.05 -77.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.4 16.62 10.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.272 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -56.83 131.48 49.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.675 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 2.2 pm0 39.65 -164.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.877 ' HB1' ' HG3' ' A' ' 160' ' ' ARG . . . -179.9 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 160' ' ' ARG . 3.9 mt-10 -86.99 104.96 16.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.663 ' HD1' ' N ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -170.15 26.16 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 188' ' ' GLU . 3.5 m -143.19 138.55 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.429 0.633 . . . . 0.0 112.417 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.726 ' HB2' HD12 ' A' ' 158' ' ' ILE . 9.3 ttt180 -114.39 111.0 20.76 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.723 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 140' ' ' LEU . . . -43.79 156.5 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.091 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.859 HD11 ' HA ' ' A' ' 187' ' ' VAL . 0.0 OUTLIER -127.23 17.42 7.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.968 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -151.76 141.79 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 111.529 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.4 146.12 25.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.528 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -162.78 125.2 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -58.32 -50.7 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 117.55 138.48 6.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.57 -42.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.754 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.23 147.35 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.766 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.39 -23.48 64.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.93 -30.88 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.41 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 152' ' ' PRO . 1.0 OUTLIER -78.16 130.12 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 111.356 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 178' ' ' LYS . 0.0 OUTLIER -78.93 108.77 8.92 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.058 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HD2' ' HD2' ' A' ' 178' ' ' LYS . 90.6 Cg_endo -83.74 104.95 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.138 1.892 . . . . 0.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.594 ' CD1' ' HB1' ' A' ' 139' ' ' ALA . 12.3 p90 -122.45 158.18 30.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 145.93 29.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.43 127.88 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.489 ' HA2' ' NE ' ' A' ' 138' ' ' ARG . . . 92.88 -0.13 69.38 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.74 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.74 126.45 30.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.553 0.677 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 138' ' ' ARG . 1.4 mm -86.05 99.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.028 0.442 . . . . 0.0 110.603 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -93.52 175.91 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 -179.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.877 ' HG3' ' HB1' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -132.99 115.72 15.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.09 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 182' ' ' ILE . 5.2 mm -60.43 94.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.227 0.537 . . . . 0.0 110.739 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 171' ' ' ASN . 0.2 OUTLIER -70.13 -8.15 47.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.171 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 168.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 170' ' ' TRP . 11.3 ptpt -140.65 74.47 27.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.921 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 170' ' ' TRP . 9.9 Cg_endo -49.92 -64.42 0.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.52 2.146 . . . . 0.0 111.351 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 169' ' ' TRP . 0.3 OUTLIER -140.12 168.69 19.21 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 121.189 0.518 . . . . 0.0 110.996 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.429 ' C ' HG21 ' A' ' 184' ' ' VAL . 13.7 pt-20 -74.02 10.36 1.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.633 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 0.0 OUTLIER -119.04 12.62 12.79 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.54 ' CD1' ' HG3' ' A' ' 166' ' ' GLU . 0.8 OUTLIER 162.1 132.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.213 0.605 . . . . 0.0 109.586 178.525 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.604 ' HB2' HD11 ' A' ' 182' ' ' ILE . 33.0 m0 -120.19 -168.95 1.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 162' ' ' ARG . 2.3 t-20 -119.06 133.02 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.02 ' HB3' HG21 ' A' ' 182' ' ' ILE . . . -153.4 152.08 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 162' ' ' ARG . 1.3 tt0 -89.53 137.96 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.018 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.66 164.02 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 0.0 111.294 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -26.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.888 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -36.99 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.083 0.468 . . . . 0.0 110.3 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . 128.92 -14.89 5.95 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.559 ' O ' HD21 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -86.13 164.48 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 172' ' ' ALA . 0.0 OUTLIER -120.3 -177.06 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.515 0.674 . . . . 0.0 111.761 -179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.53 ' N ' ' HG ' ' A' ' 151' ' ' LEU . . . 160.02 -157.74 29.03 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 170' ' ' TRP . 0.1 OUTLIER -74.34 151.38 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.429 . . . . 0.0 111.122 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 1.02 HG21 ' HB3' ' A' ' 172' ' ' ALA . 2.1 pp -141.42 166.6 21.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.869 ' O ' HG22 ' A' ' 187' ' ' VAL . 2.3 Cg_endo -75.88 89.03 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.207 1.938 . . . . 0.0 111.769 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.839 HG22 ' HD3' ' A' ' 185' ' ' PRO . 1.6 m -72.17 -35.13 3.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.396 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.839 ' HD3' HG22 ' A' ' 184' ' ' VAL . 72.2 Cg_endo -79.47 -7.17 14.82 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.154 1.903 . . . . 0.0 113.249 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' TYR . . . . . 0.825 ' O ' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -167.22 98.94 0.52 Allowed 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -137.0 168.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 138' ' ' ARG . 26.4 mt-10 -102.68 107.81 18.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.472 ' HD2' HG12 ' A' ' 137' ' ' VAL . 1.4 mptp? -71.18 72.31 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.51 ' O ' ' HD3' ' A' ' 192' ' ' PRO . 16.9 t80 -100.22 113.17 25.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 193' ' ' ALA . 0.4 OUTLIER -59.89 105.18 0.52 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.778 178.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 192' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 158' ' ' ILE . 66.4 Cg_endo -90.4 124.74 1.11 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.789 2.326 . . . . 0.0 113.688 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 192' ' ' PRO . . . 165.56 114.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.869 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 7.0 t 171.12 -33.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 197' ' ' VAL . . . -111.79 -71.0 0.78 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 28.3 t 58.92 41.63 20.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 110.562 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 197' ' ' VAL . 0.9 OUTLIER -137.21 17.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 0.0 111.329 -179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' SER . . . . . 0.417 ' HB2' HG13 ' A' ' 201' ' ' ILE . 89.8 p 52.46 108.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.652 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -71.67 -55.8 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.351 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.11 -66.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 198' ' ' SER . 38.2 mm 61.76 104.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -160.27 85.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -111.63 -67.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.71 -39.72 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.51 -155.89 25.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -91.91 119.66 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -132.16 -55.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' GLU . 4.4 m-20 -111.6 115.59 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.4 m -52.24 -26.58 12.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 98' ' ' PRO . 2.0 pm0 -105.16 -20.24 13.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.015 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 57.19 106.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -73.34 -47.6 41.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.84 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 t -66.98 -1.18 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.145 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -99.23 -63.22 1.14 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CH2' HD21 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -124.93 -33.44 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -177.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 p90 -109.23 103.62 12.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.315 0.579 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 119' ' ' SER . 7.2 m95 -90.8 -72.27 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.094 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -174.45 46.08 0.14 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.559 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' C ' HD13 ' A' ' 18' ' ' LEU . 8.2 ptt-85 45.58 167.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 172.2 -156.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.334 178.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.2 m -101.16 130.82 47.31 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.139 -0.351 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -31.27 -37.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.0 pt20 -61.91 -41.61 98.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.168 0.509 . . . . 0.0 110.021 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.64 ' HB3' ' HG ' ' A' ' 18' ' ' LEU . 1.4 tt0 -62.2 -59.13 5.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.954 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -51.41 -50.18 60.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.558 0.694 . . . . 0.0 109.351 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 57' ' ' VAL . 21.0 t -55.92 -47.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.149 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 22' ' ' GLU . . . -49.08 -46.7 44.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.975 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -81.55 -46.34 14.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.079 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -42.72 -64.36 0.63 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -49.16 -27.97 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.314 . . . . 0.0 111.667 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.05 69.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.199 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.637 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.6 mp0 -101.42 -171.66 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.088 0.471 . . . . 0.0 111.704 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.724 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -55.15 138.74 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.607 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -41.21 -40.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.889 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' A' ' 35' ' ' PHE . . . -94.08 37.65 3.35 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.916 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' HB3' ' A' ' 31' ' ' ARG . 10.8 t -101.93 142.49 16.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.779 ' CD2' HD12 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -151.26 134.02 15.69 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.765 HD21 ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -123.68 168.87 12.11 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.698 178.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.815 ' HB ' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 p -111.15 152.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.682 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 16.3 mmt180 -137.5 -177.26 4.71 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.968 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.519 ' C ' HG23 ' A' ' 48' ' ' VAL . 28.0 p-10 -92.02 144.49 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.99 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.29 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -56.54 -18.37 11.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.606 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 p -99.14 -49.82 4.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 32.1 m -86.63 141.54 34.13 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.039 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 43' ' ' SER . 16.7 Cg_exo -67.89 -35.41 21.02 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.674 2.25 . . . . 0.0 113.091 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.89 72.55 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.81 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 4.7 m-20 -156.25 168.25 27.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CG ' ' CD2' ' A' ' 97' ' ' LEU . 73.5 m-85 -107.38 168.96 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 t -141.25 130.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.804 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.806 HD11 HG13 ' A' ' 51' ' ' VAL . 1.7 tm? -100.44 130.33 46.52 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.635 ' HB3' HD23 ' A' ' 36' ' ' LEU . 2.0 t -108.98 137.88 46.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.552 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.806 HG13 HD11 ' A' ' 49' ' ' LEU . 30.4 m -140.71 121.05 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 6.4 t -64.86 90.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.984 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 4.0 tt0 -99.47 118.74 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.946 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 54.5 m-80 69.61 -92.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 3.3 p -113.92 -32.12 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 -162.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.696 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 24' ' ' VAL . 1.9 m -137.57 115.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.102 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 m -85.29 167.51 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 23.7 m80 -122.93 149.47 44.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.347 0.594 . . . . 0.0 111.377 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.581 ' HB3' HD11 ' A' ' 89' ' ' ILE . 89.8 m-85 -129.18 116.48 19.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.439 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 HG22 ' A' ' 48' ' ' VAL . 5.4 mm -72.52 127.8 34.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.378 0.609 . . . . 0.0 111.826 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 87' ' ' LEU . 2.7 mp -106.38 149.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.712 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -116.8 108.68 16.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 111.471 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.523 ' CB ' HD23 ' A' ' 87' ' ' LEU . 6.4 t -103.5 147.01 27.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.853 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -104.78 -58.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.856 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.28 77.97 1.34 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HG3' ' HG2' ' A' ' 86' ' ' ARG . 6.1 Cg_exo -79.43 -34.84 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.228 2.619 . . . . 0.0 113.15 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -122.19 159.46 51.91 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 111.498 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.11 146.02 24.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.876 2.384 . . . . 0.0 112.254 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.27 -43.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.784 2.322 . . . . 0.0 112.996 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 73' ' ' PRO . 30.9 m -128.32 150.91 75.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.887 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 5.3 Cg_endo -49.02 -46.84 23.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.367 2.711 . . . . 0.0 113.757 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 72' ' ' PRO . 34.3 Cg_endo -59.83 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.074 . . . . 0.0 112.004 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 p 78.98 108.27 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -46.38 -63.81 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.831 2.354 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -162.58 126.39 3.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.285 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 38.6 mm-40 -150.91 85.8 5.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.83 125.35 14.23 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.827 2.351 . . . . 0.0 112.637 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.38 171.29 13.82 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.743 2.295 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 -73.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.718 2.278 . . . . 0.0 112.35 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.66 36.57 7.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.566 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 83' ' ' SER . 24.0 m -149.17 -46.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.196 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.483 ' N ' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.71 103.44 0.37 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.669 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.1 Cg_exo -68.67 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.235 1.957 . . . . 0.0 111.34 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -55.45 -27.02 45.5 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.674 0.274 . . . . 0.0 111.571 -179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER 61.71 -73.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 88' ' ' ARG . 1.6 tm? -101.45 141.32 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.712 ' N ' HD13 ' A' ' 87' ' ' LEU . 30.5 ttp180 -159.98 151.51 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.095 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.588 HG22 HD21 ' A' ' 100' ' ' LEU . 8.0 tt -143.06 134.42 23.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.75 -139.28 23.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.787 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.57 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.283 . . . . 0.0 111.562 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -127.74 -177.0 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -136.11 138.45 42.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.525 0.678 . . . . 0.0 112.617 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CD2' ' CD2' ' A' ' 100' ' ' LEU . 46.2 m-85 -138.74 159.71 41.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.396 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 4.3 m-20 -60.11 -57.93 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 16.2 m -140.52 171.2 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.141 0.496 . . . . 0.0 111.554 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . 2.4 tp -63.91 -57.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.205 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 3.1 Cg_endo -47.03 -43.12 25.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.028 1.819 . . . . 0.0 111.234 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -62.65 -37.33 85.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.588 HD21 HG22 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -51.08 -49.64 60.26 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.973 HD21 ' CH2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -60.36 -19.91 57.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.55 -178.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -87.81 -24.3 23.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.554 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -92.75 -49.27 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.581 ' HD2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -63.77 -1.67 1.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.964 ' HG3' HG23 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.7 -20.71 23.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.964 HG23 ' HG3' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -139.39 5.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -88.41 -23.76 23.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' HD1' ' HG1' ' A' ' 113' ' ' THR . 0.0 OUTLIER 77.93 109.1 0.07 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.785 0.326 . . . . 0.0 110.679 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 114' ' ' LEU . 3.7 mp -65.37 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.5 ' O ' ' HB ' ' A' ' 111' ' ' THR . 8.3 t70 -125.61 -0.73 7.45 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 0.0 111.404 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 110' ' ' ASP . 4.5 t 169.16 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.176 0.512 . . . . 0.0 109.634 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.1 t -111.03 152.77 26.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.279 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.506 ' HG1' ' HD1' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -112.02 156.74 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.779 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.81 140.42 30.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.399 179.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.544 HD12 ' HE2' ' A' ' 35' ' ' PHE . 4.0 mp -123.76 -61.56 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.764 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 117' ' ' PRO . 12.5 pt-20 -149.87 167.55 12.78 Favored Pre-proline 0 N--CA 1.456 -0.171 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.717 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 116' ' ' GLU . 3.2 Cg_exo -73.62 137.92 25.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.957 2.438 . . . . 0.0 112.076 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.862 HG21 HD12 ' A' ' 26' ' ' LEU . 14.1 p -49.18 -54.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.637 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.544 ' N ' HG13 ' A' ' 118' ' ' VAL . 60.6 p 44.52 79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 0.0 111.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -63.78 -37.34 87.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.743 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 33.4 t 177.07 -166.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 64.45 137.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.417 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 124' ' ' GLY . 0.0 OUTLIER -162.89 146.85 11.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.855 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' A' ' 123' ' ' GLN . . . -61.86 79.96 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.945 -0.571 . . . . 0.0 113.07 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.9 p -113.16 -54.51 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.984 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.55 2.31 55.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.234 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.27 30.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 111.435 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.635 HD12 ' N ' ' A' ' 128' ' ' ILE . 3.9 mp 32.72 74.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.097 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 99.66 11.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.202 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.05 -77.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.4 16.62 10.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.272 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -56.83 131.48 49.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.675 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 2.2 pm0 39.65 -164.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.459 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.877 ' HB1' ' HG3' ' A' ' 160' ' ' ARG . . . -179.9 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 160' ' ' ARG . 3.9 mt-10 -86.99 104.96 16.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.663 ' N ' ' HD1' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -170.15 26.16 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 188' ' ' GLU . 3.5 m -143.19 138.55 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.429 0.633 . . . . 0.0 112.417 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.726 ' HB2' HD12 ' A' ' 158' ' ' ILE . 9.3 ttt180 -114.39 111.0 20.76 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.723 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.809 ' C ' HD13 ' A' ' 140' ' ' LEU . . . -43.79 156.5 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.091 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.859 HD11 ' HA ' ' A' ' 187' ' ' VAL . 0.0 OUTLIER -127.23 17.42 7.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.968 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -151.76 141.79 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 111.529 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.4 146.12 25.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.528 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -162.78 125.2 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -58.32 -50.7 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 117.55 138.48 6.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.57 -42.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.754 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.23 147.35 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.766 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.39 -23.48 64.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.93 -30.88 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.41 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 152' ' ' PRO . 1.0 OUTLIER -78.16 130.12 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 111.356 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 178' ' ' LYS . 0.0 OUTLIER -78.93 108.77 8.92 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.058 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HD2' ' HD2' ' A' ' 178' ' ' LYS . 90.6 Cg_endo -83.74 104.95 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.138 1.892 . . . . 0.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.594 ' CD1' ' HB1' ' A' ' 139' ' ' ALA . 12.3 p90 -122.45 158.18 30.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 145.93 29.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -45.43 127.88 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.489 ' HA2' ' NE ' ' A' ' 138' ' ' ARG . . . 92.88 -0.13 69.38 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.74 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.74 126.45 30.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.553 0.677 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 138' ' ' ARG . 1.4 mm -86.05 99.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.028 0.442 . . . . 0.0 110.603 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -93.52 175.91 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 -179.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.877 ' HG3' ' HB1' ' A' ' 134' ' ' ALA . 0.0 OUTLIER -132.99 115.72 15.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.09 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 182' ' ' ILE . 5.2 mm -60.43 94.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.227 0.537 . . . . 0.0 110.739 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 171' ' ' ASN . 0.2 OUTLIER -70.13 -8.15 47.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.171 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 168.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 170' ' ' TRP . 11.3 ptpt -140.65 74.47 27.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.921 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 170' ' ' TRP . 9.9 Cg_endo -49.92 -64.42 0.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.52 2.146 . . . . 0.0 111.351 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 169' ' ' TRP . 0.3 OUTLIER -140.12 168.69 19.21 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 121.189 0.518 . . . . 0.0 110.996 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.429 ' C ' HG21 ' A' ' 184' ' ' VAL . 13.7 pt-20 -74.02 10.36 1.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.633 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 0.0 OUTLIER -119.04 12.62 12.79 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.54 ' CD1' ' HG3' ' A' ' 166' ' ' GLU . 0.8 OUTLIER 162.1 132.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.213 0.605 . . . . 0.0 109.586 178.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.604 ' HB2' HD11 ' A' ' 182' ' ' ILE . 33.0 m0 -120.19 -168.95 1.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 162' ' ' ARG . 0.1 OUTLIER -119.06 133.02 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.02 ' HB3' HG21 ' A' ' 182' ' ' ILE . . . -153.4 152.08 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 162' ' ' ARG . 1.3 tt0 -89.53 137.96 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.018 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.66 164.02 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 0.0 111.294 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -26.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.888 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -36.99 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.083 0.468 . . . . 0.0 110.3 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . 128.92 -14.89 5.95 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.559 ' O ' HD21 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -86.13 164.48 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 172' ' ' ALA . 0.0 OUTLIER -120.3 -177.06 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.515 0.674 . . . . 0.0 111.761 -179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.53 ' N ' ' HG ' ' A' ' 151' ' ' LEU . . . 160.02 -157.74 29.03 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 170' ' ' TRP . 0.1 OUTLIER -74.34 151.38 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.429 . . . . 0.0 111.122 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 1.02 HG21 ' HB3' ' A' ' 172' ' ' ALA . 2.1 pp -141.42 166.6 21.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.869 ' O ' HG22 ' A' ' 187' ' ' VAL . 2.3 Cg_endo -75.88 89.03 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.207 1.938 . . . . 0.0 111.769 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.839 HG22 ' HD3' ' A' ' 185' ' ' PRO . 1.6 m -72.17 -35.13 3.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.396 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.839 ' HD3' HG22 ' A' ' 184' ' ' VAL . 72.2 Cg_endo -79.47 -7.17 14.82 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.154 1.903 . . . . 0.0 113.249 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' TYR . . . . . 0.825 ' O ' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -167.22 98.94 0.52 Allowed 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -137.0 168.01 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 138' ' ' ARG . 26.4 mt-10 -102.68 107.81 18.85 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.472 ' HD2' HG12 ' A' ' 137' ' ' VAL . 1.4 mptp? -71.18 72.31 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.51 ' O ' ' HD3' ' A' ' 192' ' ' PRO . 16.9 t80 -100.22 113.17 25.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 193' ' ' ALA . 0.4 OUTLIER -59.89 105.18 0.52 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.778 178.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 158' ' ' ILE . 66.4 Cg_endo -90.4 124.74 1.11 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.789 2.326 . . . . 0.0 113.688 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 192' ' ' PRO . . . 165.56 114.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.869 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 7.0 t 171.12 -33.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 197' ' ' VAL . . . -111.79 -71.0 0.78 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 28.3 t 58.92 41.63 20.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 110.562 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 197' ' ' VAL . 0.9 OUTLIER -137.21 17.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 0.0 111.329 -179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' SER . . . . . 0.417 ' HB2' HG13 ' A' ' 201' ' ' ILE . 89.8 p 52.46 108.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.652 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -71.67 -55.8 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.351 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.11 -66.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 198' ' ' SER . 38.2 mm 61.76 104.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -160.27 85.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -111.63 -67.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 stop_ save_