data_5lxl_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 5lxl _Structure_validation_residue.Date_analyzed 2017-04-14 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 ' 0' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -71.69 -26.12 73.6 Favored Glycine 0 C--N 1.37 2.464 0 C-N-CA 126.122 1.82 . . . . 0.0 116.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.465 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -124.0 149.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 173.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.33 69.09 10.41 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.084 -1.635 . . . . 0.0 114.388 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.487 1.5 m-85 -78.07 -68.0 0.68 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 149.424 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -55.68 -46.05 77.67 Favored 'General case' 0 C--N 1.384 2.069 0 C-N-CA 129.193 2.997 . . . . 0.0 116.131 -161.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.68 -39.7 61.69 Favored Glycine 0 C--N 1.366 2.196 0 C-N-CA 126.937 2.208 . . . . 0.0 117.524 165.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -38.36 58.4 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 119.695 -2.062 . . . . 0.0 112.234 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 60' ' ' TYR 0.394 0.0 OUTLIER -69.85 -38.27 76.4 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 171.186 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.25 1.8 t -82.0 -31.96 30.8 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.17 -33.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.066 1.303 . . . . 0.0 114.117 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.298 82.1 m-85 -116.31 -30.43 5.93 Favored 'General case' 0 C--N 1.381 1.952 0 CA-C-N 124.068 3.122 . . . . 0.0 112.927 -168.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.65 -96.32 0.79 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 118.649 2.219 . . . . 0.0 118.649 157.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.34 -31.0 63.71 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 120.093 3.368 . . . . 0.0 120.093 -169.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -156.51 176.55 12.56 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -81.12 140.92 49.71 Favored Pre-proline 0 C--N 1.353 0.719 0 O-C-N 120.981 -1.075 . . . . 0.0 112.82 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -88.24 -178.78 2.21 Favored 'Trans proline' 0 N--CA 1.441 -1.584 0 C-N-CA 122.731 2.287 . . . . 0.0 114.225 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.9 mp0 -71.72 154.33 41.42 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 130.466 3.506 . . . . 0.0 112.011 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.257 30.8 p -66.05 -22.02 66.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 119.039 2.978 . . . . 0.0 119.039 -174.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 42.0 p-80 -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 126.415 1.886 . . . . 0.0 111.982 173.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -77.87 -42.91 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 O-C-N 121.193 -0.942 . . . . 0.0 113.24 164.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.386 0.5 OUTLIER -62.59 -49.08 76.66 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 119.512 1.051 . . . . 0.0 112.921 -175.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 29.3 m-85 -75.25 -24.34 57.62 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 119.081 -2.262 . . . . 0.0 115.165 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.28 -17.11 12.83 Favored 'General case' 0 C--N 1.374 1.637 0 N-CA-C 118.942 2.942 . . . . 0.0 118.942 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -99.63 131.11 45.83 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 120.587 1.54 . . . . 0.0 110.198 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -56.03 -32.23 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 127.347 2.259 . . . . 0.0 115.198 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -31.97 10.59 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 130.398 3.479 . . . . 0.0 113.381 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.63 -39.69 5.31 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 126.631 1.972 . . . . 0.0 112.568 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.502 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 11.3 t-160 -72.04 -18.77 61.93 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -17.14 64.01 Favored 'General case' 0 C--N 1.373 1.613 0 O-C-N 119.521 -1.987 . . . . 0.0 114.725 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -98.43 -71.42 0.69 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 130.46 3.504 . . . . 0.0 114.717 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -157.05 144.6 13.9 Favored Pre-proline 0 CA--C 1.496 -1.102 0 N-CA-C 100.324 -3.954 . . . . 0.0 100.324 178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 38.1 Cg_endo -78.99 -36.94 0.63 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 CA-C-N 124.725 2.723 . . . . 0.0 117.682 175.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 1.078 0.3 OUTLIER -179.73 -174.51 0.29 Allowed 'General case' 0 C--N 1.35 0.597 0 CA-C-N 121.86 2.118 . . . . 0.0 112.946 -178.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 2.3 m-85 -43.27 -19.67 0.02 OUTLIER 'General case' 0 C--N 1.372 1.561 1 C-N-CA 134.029 4.932 . . . . 0.0 116.997 -175.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.13 -44.55 53.36 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 128.699 2.8 . . . . 0.0 114.377 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 16.6 t80 -74.78 -49.08 22.16 Favored 'General case' 0 C--N 1.374 1.649 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.537 1.0 OUTLIER -64.1 -35.43 80.74 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -179.648 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -72.28 -36.99 69.12 Favored 'General case' 0 C--N 1.374 1.668 0 CA-C-N 123.415 2.825 . . . . 0.0 114.261 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -69.36 -34.89 75.26 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.278 2.231 . . . . 0.0 113.17 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -87.07 -33.23 19.58 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -76.15 -7.65 55.27 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.48 -13.67 3.68 Favored Glycine 0 C--N 1.352 1.452 0 C-N-CA 128.291 2.853 . . . . 0.0 116.74 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.25 143.7 48.16 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.961 1.88 . . . . 0.0 113.317 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -74.51 60.02 0.85 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.649 1.98 . . . . 0.0 114.354 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -72.7 -27.13 61.89 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 128.96 2.904 . . . . 0.0 115.366 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 -6.9 32.35 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -166.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -57.49 -25.53 59.9 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 129.725 3.21 . . . . 0.0 115.951 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.8 m -147.94 124.12 10.82 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.13 -1.606 . . . . 0.0 107.04 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.83 -41.5 82.42 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.679 1.592 . . . . 0.0 114.373 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.627 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.8 mpt_? -65.38 -40.62 93.73 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.27 2.628 . . . . 0.0 113.418 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -72.86 -46.73 51.35 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 126.085 1.754 . . . . 0.0 114.29 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.53 -47.67 88.2 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 O-C-N 120.377 -1.452 . . . . 0.0 111.395 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.478 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.255 0.0 OUTLIER -60.23 -33.55 72.43 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.513 175.028 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HZ1' ' HZ3' ' A' ' 55' ' ' LYS . 17.2 tttm -66.94 -42.95 84.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.177 1.791 . . . . 0.0 114.403 167.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HZ3' ' HZ1' ' A' ' 54' ' ' LYS . 14.2 mptt -64.7 -43.01 94.85 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.856 2.265 . . . . 0.0 111.295 172.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.48 97.63 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.081 -1.872 . . . . 0.0 113.967 172.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.176 18.1 m -67.32 -31.85 54.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 130.817 3.647 . . . . 0.0 116.432 169.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -40.35 94.49 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.194 2.198 . . . . 0.0 110.587 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.324 . . -63.12 -41.03 99.26 Favored 'General case' 0 C--N 1.381 1.935 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 168.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 8' ' ' ARG . 25.9 t80 -52.25 -14.65 0.47 Allowed 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 130.091 3.356 . . . . 0.0 115.682 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.69 5.96 64.63 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 119.411 -2.055 . . . . 0.0 115.82 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -99.82 -30.02 12.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 127.488 2.315 . . . . 0.0 117.134 -176.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HB2' HH22 ' A' ' 8' ' ' ARG . . . -119.1 29.6 7.6 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 119.596 -1.94 . . . . 0.0 112.452 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -94.85 104.66 15.28 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.35 149.3 16.88 Favored 'Trans proline' 0 CA--C 1.56 1.816 0 C-N-CA 123.673 2.916 . . . . 0.0 109.815 165.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -83.14 49.34 2.99 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 124.233 3.288 . . . . 0.0 113.629 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.5 154.68 3.88 Favored Pre-proline 0 C--N 1.357 0.901 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.18 131.57 11.96 Favored 'Trans proline' 0 CA--C 1.557 1.651 0 C-N-CA 124.572 3.515 . . . . 0.0 111.412 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.37 -114.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.378 2.719 . . . . 0.0 111.389 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 -37.91 0.38 Allowed Pre-proline 0 C--N 1.354 0.771 0 C-N-CA 128.228 2.611 . . . . 0.0 117.536 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -67.71 -31.63 32.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.791 3.66 . . . . 0.0 120.072 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.93 143.13 22.87 Favored 'Trans proline' 0 C--N 1.37 1.709 1 CA-C-N 129.73 4.511 . . . . 0.0 112.43 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tt -117.58 148.57 41.78 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.775 1.23 . . . . 0.0 110.092 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -79.57 63.98 4.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 118.519 -2.613 . . . . 0.0 112.607 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 142.09 71.21 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 1 C-N-CA 135.022 5.329 . . . . 0.0 100.626 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -90.23 5.27 47.8 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.665 2.386 . . . . 0.0 114.546 -171.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 136.34 -63.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.737 1 C-N-CA 132.184 4.194 . . . . 0.0 104.178 -171.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.0 tp -132.22 41.14 3.26 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.223 1.409 . . . . 0.0 107.248 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 83.65 167.83 0.1 Allowed 'General case' 0 C--N 1.37 1.472 0 C-N-CA 130.817 3.647 . . . . 0.0 112.833 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 1.9 p80 . . . . . 0 C--N 1.368 1.407 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.442 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 45.4 tpp . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 102.72 -103.13 2.37 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 126.711 2.1 . . . . 0.0 110.418 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.542 HG13 ' HZ2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -114.25 131.38 66.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 174.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -90.67 69.78 6.67 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 120.006 -1.684 . . . . 0.0 113.557 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 59' ' ' ALA . 9.4 m-85 -74.77 -52.12 12.31 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 128.429 2.692 . . . . 0.0 110.742 145.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.503 7.2 t -57.64 -46.96 83.52 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 -165.186 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.45 -27.29 53.6 Favored Glycine 0 C--N 1.385 3.306 0 CA-C-N 123.922 3.055 . . . . 0.0 116.68 163.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.265 0.5 OUTLIER -76.51 -46.27 27.32 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 119.394 -2.239 . . . . 0.0 111.372 176.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.535 HH22 ' H ' ' A' ' 63' ' ' ALA 0.33 0.0 OUTLIER -69.09 -38.24 78.85 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 171.668 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.471 0.7 OUTLIER -82.23 -23.63 35.27 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 177.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.46 -36.68 5.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 120.541 1.519 . . . . 0.0 111.237 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -117.38 -12.63 10.43 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 118.682 -2.511 . . . . 0.0 114.734 -170.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.89 -61.99 2.5 Favored Glycine 0 C--N 1.36 1.883 0 N-CA-C 119.455 2.542 . . . . 0.0 119.455 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -67.64 -54.79 16.74 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -154.63 -142.78 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 53' ' ' TRP . 3.9 mm? -108.95 135.78 20.11 Favored Pre-proline 0 N--CA 1.446 -0.661 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 174.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -85.98 -178.36 2.84 Favored 'Trans proline' 0 N--CA 1.454 -0.821 1 C-N-CA 125.565 4.177 . . . . 0.0 112.208 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 9.5 mp0 -67.33 152.06 46.37 Favored 'General case' 0 N--CA 1.441 -0.902 1 C-N-CA 132.347 4.259 . . . . 0.0 116.665 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -23.66 66.35 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 120.171 3.397 . . . . 0.0 120.171 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.6 -41.93 99.27 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.601 1.561 . . . . 0.0 111.092 173.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -78.03 -53.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 C-N-CA 125.321 1.449 . . . . 0.0 114.234 166.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 27' ' ' ALA 0.342 1.0 OUTLIER -63.93 -49.99 70.43 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-N 119.868 1.213 . . . . 0.0 112.184 -168.721 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.32 -16.03 59.85 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.79 -21.42 10.69 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 119.252 3.056 . . . . 0.0 119.252 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -109.19 138.45 45.52 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.261 -1.525 . . . . 0.0 109.289 -173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.362 8.1 m -64.54 -19.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.25 -36.81 21.4 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 128.246 2.618 . . . . 0.0 113.07 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . . . -109.95 -34.6 6.38 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 126.507 1.923 . . . . 0.0 114.843 168.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 3.1 t-160 -72.11 -18.34 61.91 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -173.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -9.58 56.0 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.25 2.62 . . . . 0.0 113.287 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 0' ' ' MET . 0.2 OUTLIER -110.17 -70.64 0.8 Allowed 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 129.197 2.999 . . . . 0.0 112.669 -161.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m -152.81 150.3 24.12 Favored Pre-proline 0 CA--C 1.479 -1.777 1 N-CA-C 97.421 -5.029 . . . . 0.0 97.421 168.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 94.8 Cg_endo -83.95 -39.61 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 CA-C-N 125.47 2.989 . . . . 0.0 119.31 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.733 0.3 OUTLIER 178.08 -175.2 0.17 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 126.804 2.042 . . . . 0.0 110.533 -177.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.3 m-85 -44.29 -20.64 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.027 1 C-N-CA 132.502 4.321 . . . . 0.0 118.391 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.62 57.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 126.519 1.928 . . . . 0.0 113.02 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 15.8 t80 -75.47 -51.5 12.86 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.527 0.4 OUTLIER -65.16 -34.19 77.79 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -178.042 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -72.58 -38.42 67.9 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-N 123.804 3.002 . . . . 0.0 112.72 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -68.87 -34.89 76.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.339 2.256 . . . . 0.0 112.882 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.25 -32.89 24.21 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 124.678 1.191 . . . . 0.0 113.27 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.16 -9.7 58.35 Favored 'General case' 0 C--N 1.373 1.602 0 O-C-N 119.85 -1.782 . . . . 0.0 114.214 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.92 -13.31 2.54 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 117.398 1.719 . . . . 0.0 117.398 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.32 0.4 OUTLIER -103.87 136.36 43.68 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 126.199 1.799 . . . . 0.0 114.159 -177.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -82.39 44.55 0.89 Allowed 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.246 1.819 . . . . 0.0 115.182 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -73.61 -9.69 58.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.747 2.019 . . . . 0.0 115.639 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -169.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -40.37 -45.59 2.2 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.896 3.679 . . . . 0.0 117.748 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -126.36 137.53 53.47 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.49 -41.84 81.51 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 126.047 1.739 . . . . 0.0 112.623 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.33 88.5 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 129.472 3.109 . . . . 0.0 113.767 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -72.97 -46.86 49.96 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.751 2.02 . . . . 0.0 114.154 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 12.9 p -67.93 -42.24 85.43 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 120.401 -1.437 . . . . 0.0 112.568 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.478 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -63.91 -34.16 77.34 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 126.108 1.763 . . . . 0.0 113.896 172.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -65.66 -45.05 84.43 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.948 1.699 . . . . 0.0 113.426 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -66.0 -36.51 83.47 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 121.3 1.864 . . . . 0.0 112.532 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.82 92.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.771 -1.558 . . . . 0.0 114.802 170.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.958 19.4 m -67.31 -32.28 56.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 129.937 3.295 . . . . 0.0 115.849 170.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.05 -39.94 95.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.695 1.998 . . . . 0.0 111.412 165.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 4' ' ' TYR 0.293 . . -64.42 -45.92 85.46 Favored 'General case' 0 C--N 1.379 1.879 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 170.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 8' ' ' ARG . 41.1 t80 -50.09 -14.39 0.15 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 131.596 3.958 . . . . 0.0 116.656 -168.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.42 2.2 67.96 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.216 2.341 . . . . 0.0 117.221 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.542 ' HZ2' HG13 ' A' ' 2' ' ' ILE 0.253 0.2 OUTLIER -91.49 -47.82 7.22 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -177.034 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -92.49 -3.66 54.81 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.795 -1.816 . . . . 0.0 111.997 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 tp -98.09 133.3 23.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.32 1.448 . . . . 0.0 111.974 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -82.31 -86.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.562 1.886 0 CA-C-O 112.301 -3.291 . . . . 0.0 112.565 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.29 -40.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.368 1.6 1 CA-C-N 131.821 5.258 . . . . 0.0 113.164 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 177.25 168.9 0.45 Allowed Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.61 115.49 4.35 Favored 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.302 3.335 . . . . 0.0 112.482 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -122.21 4.12 0.02 OUTLIER 'Trans proline' 0 CA--C 1.542 0.924 0 CA-C-N 123.145 2.159 . . . . 0.0 113.248 -171.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.49 156.38 28.8 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 122.558 2.435 . . . . 0.0 110.381 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -85.71 170.5 8.83 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.714 3.609 . . . . 0.0 111.784 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.18 158.1 26.51 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.824 3.016 . . . . 0.0 112.828 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.4 108.18 16.4 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.308 1.843 . . . . 0.0 112.105 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -159.34 170.36 21.98 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.61 49.99 0.83 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.144 2.178 . . . . 0.0 111.015 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 p -71.96 53.19 0.25 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.806 2.843 . . . . 0.0 116.847 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.14 -43.14 2.86 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.878 2.071 . . . . 0.0 108.91 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.42 34.97 0.71 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.688 1.195 . . . . 0.0 108.211 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.41 -69.82 0.43 Allowed 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.054 -1.654 . . . . 0.0 108.693 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 . . . . . 0 C--N 1.352 0.703 0 C-N-CA 124.446 1.098 . . . . 0.0 111.288 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.41 -30.21 69.33 Favored Glycine 0 C--N 1.367 2.25 0 C-N-CA 126.211 1.862 . . . . 0.0 116.464 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -111.56 127.25 68.83 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 39.1 t0 -79.22 71.41 5.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 117.656 2.465 . . . . 0.0 117.656 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.335 2.5 m-85 -76.35 -60.49 2.32 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.746 2.018 . . . . 0.0 115.123 150.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.508 0.3 OUTLIER -57.05 -46.43 82.43 Favored 'General case' 0 C--N 1.377 1.786 1 N-CA-C 122.85 4.389 . . . . 0.0 122.85 -161.037 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.57 -27.71 68.52 Favored Glycine 0 C--N 1.381 3.056 0 CA-C-N 125.267 3.667 . . . . 0.0 112.384 170.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -75.81 -41.9 51.44 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 118.608 -2.701 . . . . 0.0 111.817 173.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.394 1.5 ptt85 -69.3 -37.44 77.79 Favored 'General case' 0 C--N 1.376 1.739 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 169.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.6 OUTLIER -82.29 -21.03 36.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.136 2.174 . . . . 0.0 115.252 178.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.34 -42.11 9.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.286 1.434 . . . . 0.0 110.734 170.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 21.0 m-85 -106.25 -30.42 9.2 Favored 'General case' 0 C--N 1.381 1.955 0 O-C-N 118.097 -2.877 . . . . 0.0 114.351 -169.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.19 -93.53 0.98 Allowed Glycine 0 C--N 1.357 1.705 0 N-CA-C 116.307 1.283 . . . . 0.0 116.307 173.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -74.17 -41.27 61.76 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 119.174 3.028 . . . . 0.0 119.174 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -144.96 161.07 40.28 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.49 153.67 37.88 Favored Pre-proline 0 N--CA 1.441 -0.904 0 C-N-CA 125.84 1.656 . . . . 0.0 112.474 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -74.13 -178.17 3.71 Favored 'Trans proline' 0 N--CA 1.456 -0.68 1 C-N-CA 126.817 5.012 . . . . 0.0 117.715 -174.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 49.3 mt-10 -92.46 160.91 14.85 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.594 3.157 . . . . 0.0 109.132 175.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.9 p -52.02 -23.33 5.02 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 121.364 3.839 . . . . 0.0 121.364 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 39.4 p-80 -64.51 -47.47 78.78 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 126.809 2.043 . . . . 0.0 112.494 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.265 0.8 OUTLIER -79.39 -37.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.553 162.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.435 0.8 OUTLIER -67.15 -53.39 30.99 Favored 'General case' 0 C--N 1.38 1.912 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -167.389 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.256 55.1 m-85 -75.46 -10.3 59.33 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 121.56 1.982 . . . . 0.0 111.805 171.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.04 -22.14 10.2 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -107.98 132.39 53.56 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.097 -2.252 . . . . 0.0 110.523 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.256 2.1 t -65.91 -3.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.642 0 C-N-CA 128.498 2.719 . . . . 0.0 115.248 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.933 2.493 . . . . 0.0 109.492 167.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.94 -39.66 4.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -54.59 -18.48 4.5 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -68.32 -18.75 64.58 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.381 3.072 . . . . 0.0 113.52 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -111.97 -97.88 0.42 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.948 2.099 . . . . 0.0 108.997 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -118.86 148.33 44.3 Favored Pre-proline 0 CA--C 1.487 -1.459 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 175.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 94.3 Cg_endo -84.0 -37.24 0.15 Allowed 'Trans proline' 0 N--CA 1.435 -1.958 0 CA-C-O 114.984 -2.173 . . . . 0.0 117.429 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.658 0.6 OUTLIER -179.18 -176.06 0.4 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 124.829 3.468 . . . . 0.0 111.653 -175.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 2.3 m-85 -44.3 -20.63 0.03 OUTLIER 'General case' 0 C--N 1.382 2.012 1 C-N-CA 132.729 4.412 . . . . 0.0 117.195 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.79 -45.1 62.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 128.543 2.737 . . . . 0.0 114.074 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 29.7 t80 -74.7 -50.78 16.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.271 1.428 . . . . 0.0 107.339 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.426 0.4 OUTLIER -64.11 -32.22 73.7 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 -179.463 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -73.29 -42.67 62.15 Favored 'General case' 0 C--N 1.375 1.705 0 O-C-N 119.316 -2.115 . . . . 0.0 113.615 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.52 -34.04 75.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.525 2.33 . . . . 0.0 113.202 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -81.53 -39.85 24.05 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.272 1.429 . . . . 0.0 114.27 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.74 -10.15 54.3 Favored 'General case' 0 C--N 1.38 1.909 0 CA-C-N 122.293 2.315 . . . . 0.0 113.858 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 21.56 78.95 Favored Glycine 0 C--N 1.372 2.568 0 C-N-CA 125.523 1.535 . . . . 0.0 113.0 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.9 tp -102.53 148.65 25.27 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 126.511 1.924 . . . . 0.0 113.038 -167.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 m -107.52 13.14 27.1 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.411 -1.431 . . . . 0.0 112.895 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -73.2 -12.78 61.0 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.86 -0.5 7.36 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 -170.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -70.8 -26.48 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.59 2.756 . . . . 0.0 115.673 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m -133.25 125.97 30.5 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.28 -34.6 72.47 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 120.593 -1.317 . . . . 0.0 114.201 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.309 23.2 mmt180 -73.04 -33.23 65.57 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 125.499 1.52 . . . . 0.0 114.752 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -73.55 -46.37 47.88 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.193 1.397 . . . . 0.0 113.888 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 46' ' ' ALA 0.29 13.7 p -66.88 -46.38 85.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.232 0 O-C-N 120.549 -1.344 . . . . 0.0 111.542 174.305 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . 0.433 0.0 OUTLIER -61.08 -33.65 73.67 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 124.432 1.093 . . . . 0.0 113.455 174.023 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -66.48 -44.43 82.66 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.889 1.677 . . . . 0.0 114.049 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.71 -33.81 75.62 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 122.044 2.202 . . . . 0.0 112.408 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -52.07 66.31 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.095 -1.411 . . . . 0.0 114.253 169.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 60' ' ' TYR 1.075 30.4 m -59.93 -31.51 47.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 128.819 2.848 . . . . 0.0 116.252 169.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.46 -39.58 94.84 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 126.475 1.91 . . . . 0.0 111.835 163.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.343 . . -63.85 -42.06 97.65 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.368 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CD1' HG12 ' A' ' 57' ' ' VAL . 24.2 t80 -51.24 -14.69 0.28 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 131.422 3.889 . . . . 0.0 115.714 -166.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.8 6.06 84.01 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 126.805 2.145 . . . . 0.0 117.306 165.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -50.83 5.27 Favored 'General case' 0 C--N 1.371 1.54 0 CA-C-N 121.273 2.536 . . . . 0.0 115.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -100.11 28.34 4.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 119.7 -1.875 . . . . 0.0 113.746 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.3 tp -103.44 135.67 19.34 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.496 1.918 . . . . 0.0 109.278 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.86 148.06 15.41 Favored 'Trans proline' 0 CA--C 1.561 1.851 0 C-N-CA 123.608 2.872 . . . . 0.0 111.47 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.07 66.79 8.77 Favored 'Trans proline' 0 C--N 1.359 1.119 1 C-N-CA 125.321 4.014 . . . . 0.0 112.881 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -175.03 -175.05 0.23 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 N-CA-C 101.506 -3.516 . . . . 0.0 101.506 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.88 132.26 11.69 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 127.696 3.784 . . . . 0.0 110.021 171.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.99 -29.1 23.28 Favored 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 125.023 3.815 . . . . 0.0 114.607 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 93.98 150.32 0.05 OUTLIER Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 130.052 3.341 . . . . 0.0 112.467 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.67 167.24 20.93 Favored 'Trans proline' 0 CA--C 1.553 1.463 0 C-N-CA 123.916 3.077 . . . . 0.0 110.507 172.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.22 133.81 16.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.547 2.832 . . . . 0.0 113.39 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.86 148.03 37.4 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.208 2.203 . . . . 0.0 109.123 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -148.4 30.31 0.84 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.215 1.406 . . . . 0.0 107.242 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -178.48 177.06 0.97 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.892 2.477 . . . . 0.0 104.883 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 m 62.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.363 1.185 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -84.11 -55.17 4.35 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.721 2.009 . . . . 0.0 112.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.17 -5.19 59.21 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.801 1.64 . . . . 0.0 111.738 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -113.16 10.16 18.58 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.231 2.212 . . . . 0.0 110.996 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.364 1.224 0 C-N-CA 126.413 1.885 . . . . 0.0 115.301 -175.109 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 168.04 -94.87 0.11 Allowed Glycine 0 C--N 1.362 2.026 0 CA-C-N 120.372 1.442 . . . . 0.0 112.634 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 mt -89.75 141.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 120.637 -1.507 . . . . 0.0 107.975 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -86.1 66.23 9.47 Favored 'General case' 0 C--N 1.367 1.334 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 -173.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.557 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.4 m-85 -76.31 -68.6 0.57 Allowed 'General case' 0 N--CA 1.442 -0.856 1 C-N-CA 132.996 4.518 . . . . 0.0 116.734 150.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.256 58.2 m -56.51 -46.42 80.54 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 117.751 -165.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.59 -34.78 50.35 Favored Glycine 0 C--N 1.375 2.736 0 CA-C-N 122.208 2.276 . . . . 0.0 116.26 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 11' ' ' PHE 0.281 0.9 OUTLIER -76.31 -46.42 27.85 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 118.393 -2.828 . . . . 0.0 110.275 -178.857 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.459 ' HD3' ' CD2' ' A' ' 60' ' ' TYR 0.425 2.5 ptt85 -69.56 -32.82 71.84 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 169.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.35 0.7 OUTLIER -82.35 -32.03 29.5 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -95.54 -36.97 7.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 124.303 1.041 . . . . 0.0 112.3 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 16' ' ' PRO . 17.0 m-85 -110.7 -30.37 7.62 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 117.899 -3.001 . . . . 0.0 113.003 -169.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.5 -94.03 0.83 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.95 -32.88 59.73 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 -168.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 27.4 ttmt -141.17 -157.65 0.79 Allowed 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -104.34 138.78 19.62 Favored Pre-proline 0 C--N 1.35 0.597 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 171.109 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.529 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 9.6 Cg_endo -86.58 174.79 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.482 2.788 . . . . 0.0 110.58 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -74.14 167.91 20.62 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.302 8.7 p -61.52 -23.14 65.73 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -46.32 85.93 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.092 2.157 . . . . 0.0 111.431 172.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.284 0.1 OUTLIER -78.84 -49.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.706 1.603 . . . . 0.0 114.999 164.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.278 1.0 OUTLIER -64.77 -50.68 65.85 Favored 'General case' 0 C--N 1.385 2.13 0 O-C-N 120.978 -1.076 . . . . 0.0 111.926 -167.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 2.5 m-85 -75.98 -13.08 60.24 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 125.09 1.356 . . . . 0.0 113.533 174.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.51 -22.17 9.94 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 120.288 3.44 . . . . 0.0 120.288 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.7 m -106.68 134.81 49.26 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 119.446 -2.034 . . . . 0.0 111.007 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.14 -31.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.302 3.041 . . . . 0.0 115.178 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -35.46 15.36 Favored 'General case' 0 C--N 1.37 1.476 1 C-N-CA 132.421 4.288 . . . . 0.0 111.897 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.59 -39.64 5.09 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 111.925 167.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.15 33.55 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 120.3 3.444 . . . . 0.0 120.3 -175.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -18.57 63.53 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.823 2.449 . . . . 0.0 114.433 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.34 -80.49 0.48 Allowed 'General case' 0 C--N 1.349 0.545 0 C-N-CA 129.564 3.146 . . . . 0.0 111.311 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.4 m -144.05 156.57 58.29 Favored Pre-proline 0 CA--C 1.485 -1.521 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -87.66 -37.66 0.08 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.527 0 N-CA-C 120.601 3.27 . . . . 0.0 120.601 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.957 0.1 OUTLIER 179.45 -174.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 124.11 3.141 . . . . 0.0 115.134 -177.093 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.546 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 43.2 m-85 -42.94 -32.42 0.64 Allowed 'General case' 0 C--N 1.382 1.99 0 C-N-CA 130.625 3.57 . . . . 0.0 115.953 -178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.18 98.09 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 129.911 3.285 . . . . 0.0 115.602 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 32.0 t80 -74.74 -46.66 35.89 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.283 2.233 . . . . 0.0 106.719 173.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 56' ' ' PHE 0.418 0.0 OUTLIER -60.47 -34.6 74.26 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 179.039 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -69.14 -40.91 77.95 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -69.19 -34.53 75.05 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.912 1.685 . . . . 0.0 113.055 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -72.44 -40.26 67.2 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.739 2.016 . . . . 0.0 114.745 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.58 -9.14 48.18 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 121.48 1.945 . . . . 0.0 114.436 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.31 -12.89 3.02 Favored Glycine 0 C--N 1.358 1.793 0 C-N-CA 125.685 1.612 . . . . 0.0 116.657 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.21 154.46 18.44 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.495 1.918 . . . . 0.0 112.195 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -75.02 61.46 1.07 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.785 1.634 . . . . 0.0 114.133 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.8 p -73.44 -34.86 65.65 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.84 5.08 1.2 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -64.21 -49.43 72.02 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.822 2.849 . . . . 0.0 113.323 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -133.49 140.01 46.99 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 122.819 1.295 . . . . 0.0 108.821 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -39.39 80.73 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.879 2.072 . . . . 0.0 112.387 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.267 11.2 mmm180 -72.51 -33.59 67.03 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.527 1.931 . . . . 0.0 115.432 174.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -72.79 -46.34 53.79 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 121.317 1.871 . . . . 0.0 113.684 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.271 14.4 p -65.64 -45.61 91.72 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 O-C-N 120.331 -1.48 . . . . 0.0 113.185 175.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CH2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -60.63 -33.83 73.37 Favored 'General case' 0 C--N 1.368 1.377 0 CA-C-O 116.678 -1.63 . . . . 0.0 114.048 172.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -67.47 -42.85 82.33 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.505 1.922 . . . . 0.0 114.55 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -66.77 -40.46 88.21 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-O 124.34 2.019 . . . . 0.0 110.521 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -62.2 -41.92 98.81 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 112.928 -1.942 . . . . 0.0 113.924 168.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG11 ' CG ' ' A' ' 60' ' ' TYR 1.197 13.4 m -66.75 -32.55 58.52 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 C-N-CA 129.771 3.228 . . . . 0.0 116.897 172.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -65.17 -43.38 91.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.05 2.54 . . . . 0.0 110.795 164.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 4' ' ' TYR 0.313 . . -59.73 -45.52 91.92 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 170.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -51.64 -15.46 0.47 Allowed 'General case' 0 CA--C 1.565 1.528 1 C-N-CA 132.58 4.352 . . . . 0.0 114.5 -169.135 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.17 5.93 84.18 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 126.755 2.121 . . . . 0.0 116.791 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.337 0.1 OUTLIER -97.94 -52.02 3.86 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.873 2.336 . . . . 0.0 115.241 -179.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HB2' HH22 ' A' ' 8' ' ' ARG . . . -91.05 29.32 1.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.283 -2.136 . . . . 0.0 113.074 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.47 114.52 55.53 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 127.899 2.48 . . . . 0.0 111.175 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -79.4 158.99 25.96 Favored 'Trans proline' 0 CA--C 1.555 1.566 0 C-N-CA 123.405 2.737 . . . . 0.0 112.354 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.49 68.06 8.41 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.957 3.771 . . . . 0.0 113.181 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 88.03 77.63 0.05 OUTLIER Pre-proline 0 C--N 1.363 1.183 0 C-N-CA 129.317 3.047 . . . . 0.0 112.445 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -86.96 170.53 7.2 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.581 2.854 . . . . 0.0 112.817 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 167.2 18.35 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 123.802 3.001 . . . . 0.0 109.635 165.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.44 -50.69 86.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.71 154.36 23.48 Favored 'Trans proline' 0 C--N 1.361 1.234 0 CA-C-N 124.877 2.777 . . . . 0.0 112.134 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.02 156.45 23.37 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 124.104 3.202 . . . . 0.0 111.431 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.82 103.97 16.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.821 1.248 . . . . 0.0 110.752 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 p -99.99 -72.56 0.66 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.653 1.981 . . . . 0.0 110.345 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.38 78.06 1.55 Allowed 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.917 2.087 . . . . 0.0 109.031 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -116.41 -161.56 0.8 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.847 -1.158 . . . . 0.0 109.818 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 73.89 46.99 0.17 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 128.301 2.64 . . . . 0.0 112.121 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.269 63.4 mt 82.66 37.38 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.551 3.14 . . . . 0.0 113.249 -177.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -119.21 -97.55 0.46 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.517 1.527 . . . . 0.0 112.029 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.265 88.8 m-70 . . . . . 0 C--N 1.368 1.398 0 C-N-CA 127.927 2.491 . . . . 0.0 115.915 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 82.28 -115.24 3.98 Favored Glycine 0 C--N 1.361 1.924 0 C-N-CA 129.068 3.223 . . . . 0.0 115.286 173.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 HD13 ' HH ' ' A' ' 4' ' ' TYR . 2.4 mt -96.63 150.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 126.783 2.033 . . . . 0.0 106.2 172.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 30' ' ' TYR . 23.6 t0 -83.64 67.47 9.46 Favored 'General case' 0 CA--C 1.484 -1.587 0 O-C-N 119.261 -2.149 . . . . 0.0 116.53 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.509 ' HB3' ' CD2' ' A' ' 60' ' ' TYR 0.481 1.6 m-85 -77.36 -68.67 0.59 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.289 2.636 . . . . 0.0 117.504 154.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.271 3.6 m -56.8 -47.36 80.39 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 127.692 2.397 . . . . 0.0 117.152 -164.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.48 -32.07 44.94 Favored Glycine 0 C--N 1.371 2.5 0 CA-C-N 122.314 2.324 . . . . 0.0 116.984 166.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.9 mp -76.34 -51.25 12.31 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.245 2.218 . . . . 0.0 112.491 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.481 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.343 1.2 ptt85 -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 175.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.338 0.6 OUTLIER -82.66 -44.99 15.06 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.038 1.335 . . . . 0.0 112.758 176.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.96 -31.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.365 1.245 0 O-C-N 118.893 -2.379 . . . . 0.0 113.979 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD2' ' HG3' ' A' ' 16' ' ' PRO 0.295 0.4 OUTLIER -116.73 -30.57 5.74 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 123.791 2.996 . . . . 0.0 111.898 -172.029 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.91 -105.55 1.71 Allowed Glycine 0 C--N 1.356 1.669 0 N-CA-C 118.805 2.282 . . . . 0.0 118.805 163.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.23 -55.61 26.74 Favored 'General case' 0 C--N 1.364 1.207 1 N-CA-C 123.348 4.573 . . . . 0.0 123.348 -164.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -105.81 -138.4 0.36 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 119.593 -1.942 . . . . 0.0 106.358 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.79 137.91 24.78 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 168.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 40.8 Cg_endo -83.06 167.5 14.11 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.745 2.963 . . . . 0.0 113.339 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 46.8 mt-10 -75.78 160.76 29.66 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 123.88 1.8 . . . . 0.0 114.091 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.281 3.3 p -56.53 -22.55 33.76 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 120.986 3.699 . . . . 0.0 120.986 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 37.2 p-80 -62.1 -44.36 96.83 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 127.368 2.267 . . . . 0.0 111.515 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 pt -78.34 -47.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 121.514 -0.741 . . . . 0.0 112.709 160.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.367 0.8 OUTLIER -60.84 -53.2 60.28 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 124.01 0.924 . . . . 0.0 113.198 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 16.7 m-85 -76.31 -10.32 59.31 Favored 'General case' 0 CA--C 1.562 1.439 0 O-C-N 119.81 -1.806 . . . . 0.0 113.478 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.17 -21.78 10.84 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.2 t -98.54 154.09 18.16 Favored 'General case' 0 C--N 1.369 1.428 0 CA-C-N 121.134 1.788 . . . . 0.0 111.061 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.86 -31.02 39.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 126.816 2.046 . . . . 0.0 112.312 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.83 -30.07 9.16 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 129.597 3.159 . . . . 0.0 112.833 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.71 -39.75 5.27 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.554 2.342 . . . . 0.0 112.421 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -53.84 -34.41 59.2 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 119.341 3.089 . . . . 0.0 119.341 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -64.88 -15.17 61.61 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.291 2.636 . . . . 0.0 116.469 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 3' ' ' ASP . 50.5 m-85 -101.43 -77.97 0.54 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 128.834 2.854 . . . . 0.0 112.544 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.2 m -151.76 149.76 24.61 Favored Pre-proline 0 CA--C 1.485 -1.54 0 N-CA-C 101.301 -3.592 . . . . 0.0 101.301 174.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.36 -37.41 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.278 0 N-CA-C 119.002 2.655 . . . . 0.0 119.002 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.787 0.3 OUTLIER 179.95 -175.86 0.31 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 123.161 2.71 . . . . 0.0 112.193 179.408 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 5.6 m-85 -44.11 -20.79 0.03 OUTLIER 'General case' 0 C--N 1.385 2.121 1 C-N-CA 132.045 4.138 . . . . 0.0 117.909 -176.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.94 -44.76 60.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 128.915 2.886 . . . . 0.0 113.876 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 9.0 t80 -74.96 -50.42 16.74 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.312 1.845 . . . . 0.0 107.195 171.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.552 0.5 OUTLIER -61.56 -29.59 70.11 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.047 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -66.92 -40.76 87.71 Favored 'General case' 0 C--N 1.378 1.817 0 O-C-N 119.34 -2.1 . . . . 0.0 114.116 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -34.96 74.84 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.729 2.012 . . . . 0.0 113.657 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -74.51 -36.78 63.23 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.322 1.849 . . . . 0.0 114.751 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.47 -8.76 59.77 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -13.13 2.88 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.887 1.708 . . . . 0.0 116.256 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.46 144.9 46.72 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.215 1.406 . . . . 0.0 114.028 -175.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -90.35 52.79 2.31 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.932 1.693 . . . . 0.0 114.066 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -74.16 -10.52 59.69 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.192 1.797 . . . . 0.0 110.923 167.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.01 5.8 1.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 132.448 4.299 . . . . 0.0 118.861 -172.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -75.18 -28.37 60.02 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 128.748 2.819 . . . . 0.0 113.797 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.95 146.99 47.87 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 124.773 1.229 . . . . 0.0 108.306 175.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -30.94 71.97 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.536 1.934 . . . . 0.0 112.714 175.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.679 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -73.21 -44.95 58.82 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.033 3.333 . . . . 0.0 114.445 176.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.18 -45.87 58.64 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.031 2.132 . . . . 0.0 113.008 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.291 7.8 p -68.45 -46.79 79.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 O-C-N 120.321 -1.487 . . . . 0.0 111.129 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.321 0.0 OUTLIER -57.28 -32.09 66.26 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 170.625 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -66.72 -51.13 59.46 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.647 1.179 . . . . 0.0 114.022 169.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -67.83 -34.9 77.63 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 121.442 1.928 . . . . 0.0 114.26 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -45.14 66.04 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 124.759 2.219 . . . . 0.0 113.359 177.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 60' ' ' TYR 1.123 1.0 OUTLIER -67.52 -31.48 52.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.038 -2.289 . . . . 0.0 115.127 172.43 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -62.37 -38.14 88.44 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 125.816 1.646 . . . . 0.0 112.752 161.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . 0.366 . . -57.47 -45.62 84.6 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 125.94 1.696 . . . . 0.0 115.03 168.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.41 -13.77 0.08 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 129.273 3.029 . . . . 0.0 116.473 -164.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.16 -8.07 87.95 Favored Glycine 0 C--N 1.356 1.643 0 O-C-N 118.797 -2.439 . . . . 0.0 117.006 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -79.78 -34.12 40.01 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 118.769 2.877 . . . . 0.0 118.769 -176.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -119.41 29.13 7.79 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 119.634 -1.916 . . . . 0.0 111.75 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.13 102.96 0.59 Allowed Pre-proline 0 CA--C 1.572 1.794 0 N-CA-C 118.766 2.876 . . . . 0.0 118.766 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -110.93 175.92 0.05 OUTLIER 'Trans proline' 0 CA--C 1.555 1.545 0 C-N-CA 123.397 2.731 . . . . 0.0 110.961 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -77.16 164.15 29.68 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.913 3.075 . . . . 0.0 111.799 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.67 74.19 17.64 Favored Pre-proline 0 C--N 1.356 0.863 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 -32.03 17.48 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 CA-C-O 111.352 -3.687 . . . . 0.0 118.818 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -90.13 -178.3 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 CA-C-N 130.578 4.813 . . . . 0.0 112.714 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.8 17.37 Favored Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 128.457 2.703 . . . . 0.0 118.0 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.06 -48.72 15.02 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 125.061 3.841 . . . . 0.0 116.415 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.73 160.97 47.7 Favored 'Trans proline' 0 C--N 1.363 1.304 1 C-N-CA 125.496 4.131 . . . . 0.0 114.198 172.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 tp -103.45 125.58 50.11 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.987 2.115 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -157.46 179.11 9.56 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.11 -178.77 4.78 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.4 m -160.28 160.41 32.52 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 118.743 -2.473 . . . . 0.0 106.029 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttp 83.1 -58.33 0.15 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.671 2.389 . . . . 0.0 111.544 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.66 8.73 44.59 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 126.86 2.064 . . . . 0.0 111.09 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -144.45 -84.26 0.14 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 110.358 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--N 1.361 1.067 0 C-N-CA 124.722 1.209 . . . . 0.0 111.996 -178.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -80.95 -35.52 24.31 Favored Glycine 0 C--N 1.37 2.431 0 C-N-CA 127.629 2.538 . . . . 0.0 113.666 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.499 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 2.6 mp -109.09 140.76 26.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 N-CA-C 101.606 -3.479 . . . . 0.0 101.606 168.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' HB3' HG13 ' A' ' 31' ' ' VAL 0.395 4.6 p-10 -77.98 64.35 3.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -173.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CE1' ' HB ' ' A' ' 2' ' ' ILE 0.625 0.7 OUTLIER -77.8 -64.95 1.04 Allowed 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 161.606 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -56.04 -47.01 78.68 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 119.763 3.246 . . . . 0.0 119.763 -157.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -57.06 -36.67 75.34 Favored Glycine 0 C--N 1.366 2.212 1 C-N-CA 130.967 4.127 . . . . 0.0 112.974 160.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.55 -37.23 60.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 116.988 -3.654 . . . . 0.0 112.087 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 60' ' ' TYR . 2.0 mtt85 -69.37 -39.83 77.83 Favored 'General case' 0 C--N 1.371 1.506 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -82.34 -28.14 31.79 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -34.95 5.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.434 1.494 . . . . 0.0 111.962 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.82 -14.9 12.48 Favored 'General case' 0 C--N 1.384 2.08 0 CA-C-N 123.713 2.961 . . . . 0.0 113.206 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.0 -95.14 1.99 Allowed Glycine 0 C--N 1.36 1.902 0 C-N-CA 125.0 1.286 . . . . 0.0 115.927 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.79 -46.24 69.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 118.992 2.96 . . . . 0.0 118.992 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -142.28 171.41 14.09 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.602 -1.311 . . . . 0.0 108.064 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 53' ' ' TRP . 28.0 mt -81.46 138.82 47.9 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 126.868 2.067 . . . . 0.0 113.626 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.17 175.04 11.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.758 2.972 . . . . 0.0 115.569 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -94.38 159.41 15.12 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 129.028 2.931 . . . . 0.0 109.749 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 p -53.93 -23.61 13.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -47.34 86.3 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.826 2.05 . . . . 0.0 112.353 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -42.24 23.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 113.302 164.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.528 1.6 t80 -69.48 -50.23 47.33 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -166.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.299 59.2 m-85 -76.02 -11.79 60.01 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 122.125 2.239 . . . . 0.0 111.768 170.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.85 -21.95 10.4 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 120.84 3.644 . . . . 0.0 120.84 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -111.73 130.1 55.9 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 119.328 -2.108 . . . . 0.0 109.603 -174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.427 0.9 OUTLIER -62.99 -9.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.01 71.05 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.955 2.102 . . . . 0.0 111.1 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.55 -25.8 10.27 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -70.75 -18.39 62.78 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.58 2.352 . . . . 0.0 117.114 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -65.73 -12.38 53.34 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.087 2.155 . . . . 0.0 114.452 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 10.5 m-85 -113.38 -74.81 0.61 Allowed 'General case' 0 C--N 1.365 1.27 0 CA-C-O 123.024 1.393 . . . . 0.0 110.828 177.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -139.28 148.61 57.62 Favored Pre-proline 0 CA--C 1.485 -1.526 0 N-CA-C 101.411 -3.551 . . . . 0.0 101.411 178.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 72.2 Cg_endo -83.23 -36.49 0.21 Allowed 'Trans proline' 0 N--CA 1.443 -1.478 0 N-CA-C 118.075 2.298 . . . . 0.0 118.075 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.656 0.6 OUTLIER -178.4 -176.61 0.51 Allowed 'General case' 0 C--O 1.242 0.661 0 CA-C-N 123.836 3.016 . . . . 0.0 111.453 -173.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.5 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.3 m-85 -44.3 -20.25 0.03 OUTLIER 'General case' 0 C--N 1.377 1.797 1 C-N-CA 134.979 5.312 . . . . 0.0 116.98 -175.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.39 47.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 130.353 3.461 . . . . 0.0 114.202 173.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 22.8 t80 -74.95 -50.38 16.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.429 1.891 . . . . 0.0 107.226 171.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.442 0.3 OUTLIER -61.93 -30.01 70.61 Favored 'General case' 0 C--N 1.374 1.639 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 -179.628 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -72.28 -48.19 44.37 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 122.266 2.303 . . . . 0.0 115.541 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -68.99 -34.49 75.38 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 174.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.41 -29.71 22.67 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -97.75 -9.0 27.38 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 122.539 2.427 . . . . 0.0 110.966 -178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.49 31.64 62.93 Favored Glycine 0 C--N 1.373 2.587 0 C-N-CA 126.366 1.936 . . . . 0.0 112.897 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.93 131.4 40.9 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 123.21 1.481 . . . . 0.0 114.937 -168.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 p -95.88 -9.37 31.56 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.308 2.643 . . . . 0.0 111.271 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.5 m -73.94 -10.34 59.55 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.613 3.165 . . . . 0.0 111.615 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.72 4.19 2.08 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 129.833 3.253 . . . . 0.0 117.8 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -8.13 45.05 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.224 2.209 . . . . 0.0 113.727 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 m -143.59 132.26 22.49 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . 0.257 1.9 t30 -65.27 -33.11 75.21 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.923 -1.736 . . . . 0.0 115.585 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -72.54 -37.24 68.33 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -72.86 -44.34 61.49 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.162 1.785 . . . . 0.0 114.75 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 p -64.0 -47.89 88.43 Favored 'Isoleucine or valine' 0 C--N 1.382 2.015 0 C-N-CA 125.081 1.352 . . . . 0.0 110.677 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 15' ' ' LEU 0.338 0.0 OUTLIER -63.61 -34.25 77.41 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 125.926 1.691 . . . . 0.0 113.352 175.298 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -65.86 -44.85 84.17 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.496 1.918 . . . . 0.0 114.717 169.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -70.53 -32.42 69.87 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 122.269 2.304 . . . . 0.0 111.824 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 2.2 m-85 -64.78 -48.98 72.49 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.28 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 60' ' ' TYR 1.144 28.1 m -58.82 -31.45 44.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 129.014 2.925 . . . . 0.0 115.755 168.059 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -63.56 -41.98 98.38 Favored 'General case' 0 CA--C 1.564 1.519 0 C-N-CA 126.244 1.817 . . . . 0.0 112.371 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR 0.32 . . -61.48 -39.54 91.27 Favored 'General case' 0 C--N 1.39 2.364 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 169.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 21.0 t80 -51.58 -13.18 0.22 Allowed 'General case' 0 CA--C 1.563 1.475 1 C-N-CA 131.741 4.017 . . . . 0.0 115.057 -172.462 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.32 5.95 80.91 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.769 2.128 . . . . 0.0 116.858 165.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.307 0.0 OUTLIER -99.95 -52.43 3.43 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 121.652 2.726 . . . . 0.0 117.47 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -77.14 -17.51 58.55 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 119.198 -2.189 . . . . 0.0 113.283 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 tt -80.36 128.43 72.86 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 126.511 1.924 . . . . 0.0 111.633 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -81.29 154.82 18.97 Favored 'Trans proline' 0 CA--C 1.557 1.675 0 C-N-CA 124.18 3.253 . . . . 0.0 111.259 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.28 68.64 7.21 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 125.398 4.065 . . . . 0.0 112.226 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.54 -163.35 0.04 OUTLIER Pre-proline 0 C--N 1.348 0.527 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -65.85 145.57 80.85 Favored 'Trans proline' 0 CA--C 1.563 1.937 1 CA-C-N 128.465 4.059 . . . . 0.0 114.392 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -79.84 178.27 7.45 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.492 3.461 . . . . 0.0 112.907 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.77 149.16 59.44 Favored Pre-proline 0 C--N 1.359 0.988 0 C-N-CA 127.066 2.146 . . . . 0.0 112.616 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -85.21 177.23 5.33 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 124.291 3.328 . . . . 0.0 113.934 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.11 136.55 5.85 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.958 3.105 . . . . 0.0 111.828 173.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -131.69 125.85 33.09 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.266 1.426 . . . . 0.0 107.867 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.7 t -108.59 -171.96 1.96 Allowed 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.037 1.735 . . . . 0.0 108.39 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 101.08 2.97 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.198 2.999 . . . . 0.0 108.528 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -112.93 -151.73 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.094 1.358 . . . . 0.0 111.454 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 65.16 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.958 2.903 . . . . 0.0 116.863 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -99.29 -14.11 19.38 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 127.701 2.4 . . . . 0.0 110.869 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -100.19 -99.34 0.24 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.498 2.319 . . . . 0.0 110.728 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--N 1.364 1.231 0 O-C-N 120.258 -1.526 . . . . 0.0 111.758 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.433 -1.323 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.98 -18.72 79.25 Favored Glycine 0 C--N 1.365 2.17 0 C-N-CA 125.569 1.557 . . . . 0.0 116.344 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.425 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.6 143.0 35.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.44 64.25 7.0 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 59' ' ' ALA 0.689 0.1 OUTLIER -78.47 -68.5 0.64 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 159.01 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.367 38.8 p -57.0 -47.41 80.92 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -160.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.67 -34.36 64.38 Favored Glycine 0 C--N 1.362 2.002 0 C-N-CA 128.795 3.093 . . . . 0.0 114.909 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.3 mp -75.76 -42.22 50.97 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 118.5 -2.765 . . . . 0.0 110.712 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.479 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.263 0.0 OUTLIER -68.77 -40.64 79.6 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 169.192 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.389 0.6 OUTLIER -82.52 -25.19 33.66 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.47 -37.75 8.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.56 0 C-N-CA 124.578 1.151 . . . . 0.0 110.11 171.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' A' ' 20' ' ' ILE . 14.7 m-85 -108.69 -26.18 10.47 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 123.774 2.988 . . . . 0.0 114.396 -171.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.72 -101.34 2.01 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 116.656 1.422 . . . . 0.0 116.656 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.67 -37.42 59.6 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 119.429 3.122 . . . . 0.0 119.429 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -143.89 162.18 36.78 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 104.505 -2.405 . . . . 0.0 104.505 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -94.35 154.16 40.37 Favored Pre-proline 0 C--N 1.355 0.813 0 C-N-CA 125.443 1.497 . . . . 0.0 110.198 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -94.85 -178.15 0.53 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 124.255 3.303 . . . . 0.0 115.061 -168.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 33.1 mt-10 -71.13 164.83 24.83 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.341 2.656 . . . . 0.0 115.543 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.375 5.0 p -63.28 -29.11 70.49 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.458 3.133 . . . . 0.0 119.458 -174.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -54.08 -46.87 72.14 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.072 2.149 . . . . 0.0 113.359 175.574 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.448 HD12 ' CZ ' ' A' ' 11' ' ' PHE 0.251 0.1 OUTLIER -78.39 -48.23 22.96 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 C-N-CA 124.53 1.132 . . . . 0.0 113.068 165.52 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 33' ' ' SER 0.417 1.3 t80 -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 7.0 m-85 -76.13 -17.3 59.64 Favored 'General case' 0 CA--C 1.563 1.452 0 O-C-N 120.255 -1.528 . . . . 0.0 113.133 172.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.81 -21.99 10.4 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 120.837 3.643 . . . . 0.0 120.837 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.0 m -112.5 126.93 55.86 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.292 -2.13 . . . . 0.0 109.419 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.415 0.6 OUTLIER -60.38 -8.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.764 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -175.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -40.99 45.77 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 129.174 2.99 . . . . 0.0 112.038 171.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.06 -27.61 9.1 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.568 1.947 . . . . 0.0 115.987 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -18.12 62.03 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.594 2.758 . . . . 0.0 116.496 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -11.84 53.47 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 127.929 2.492 . . . . 0.0 113.753 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -110.25 -67.69 0.97 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-O 122.676 1.226 . . . . 0.0 113.637 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -146.79 155.19 48.27 Favored Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 -176.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -87.54 -38.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.555 1.566 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE 0.723 0.2 OUTLIER 179.69 -175.74 0.28 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 124.502 3.319 . . . . 0.0 110.861 -177.774 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.7 m-85 -44.24 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.384 2.071 1 C-N-CA 132.432 4.293 . . . . 0.0 118.375 -179.301 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -42.97 56.77 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.613 3.165 . . . . 0.0 113.676 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 25.1 t80 -74.92 -50.75 15.76 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.842 1.657 . . . . 0.0 106.971 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.488 0.3 OUTLIER -61.64 -30.21 70.56 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.35 -41.52 73.05 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 122.13 2.241 . . . . 0.0 114.016 172.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -69.16 -35.04 75.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.228 1.411 . . . . 0.0 114.194 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -80.59 -31.52 36.73 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.311 1.445 . . . . 0.0 114.744 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.4 mt -84.27 -8.96 58.87 Favored 'General case' 0 C--N 1.378 1.842 0 O-C-N 118.986 -2.321 . . . . 0.0 113.299 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.37 -12.63 3.25 Favored Glycine 0 C--N 1.36 1.905 0 C-N-CA 125.82 1.676 . . . . 0.0 117.168 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.295 0.5 OUTLIER -105.18 144.6 31.76 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 t -68.44 51.33 0.07 Allowed 'General case' 0 C--N 1.374 1.639 0 C-N-CA 129.955 3.302 . . . . 0.0 114.917 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -73.25 -31.99 64.44 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 131.602 3.961 . . . . 0.0 116.044 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 6.46 0.89 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.876 2.871 . . . . 0.0 118.116 -171.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -65.3 -49.38 69.7 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 128.474 2.709 . . . . 0.0 114.596 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -138.11 145.24 41.4 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.441 1.497 . . . . 0.0 108.392 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -29.55 70.79 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.635 1.574 . . . . 0.0 112.477 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 2.4 mpt_? -71.83 -40.51 69.02 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 113.217 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -72.55 -47.11 50.91 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.774 1.629 . . . . 0.0 113.489 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.27 7.4 p -66.54 -47.21 84.3 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 O-C-N 120.858 -1.151 . . . . 0.0 111.522 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.464 ' CE2' ' HG ' ' A' ' 15' ' ' LEU 0.318 0.0 OUTLIER -61.63 -36.16 79.97 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.595 174.345 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -61.73 -43.84 98.07 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.906 2.139 . . . . 0.0 115.267 167.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.13 -40.58 94.65 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 124.043 1.877 . . . . 0.0 112.922 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -52.01 66.81 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.273 1.829 . . . . 0.0 114.837 173.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.012 3.0 m -63.7 -31.88 54.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 128.192 2.597 . . . . 0.0 114.791 170.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.55 -36.98 84.37 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.99 1.716 . . . . 0.0 112.589 164.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB3' ' CE1' ' A' ' 4' ' ' TYR 0.345 . . -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 8' ' ' ARG . 40.0 t80 -49.63 -12.87 0.07 Allowed 'General case' 0 CA--C 1.561 1.382 1 C-N-CA 131.804 4.042 . . . . 0.0 116.508 -161.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.41 -14.88 82.03 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 118.583 -2.573 . . . . 0.0 116.124 163.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -73.8 -32.43 63.74 Favored 'General case' 0 C--N 1.37 1.475 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -175.345 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -111.22 29.14 8.07 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.629 2.013 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 tt -132.34 87.75 41.91 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 120.27 -1.518 . . . . 0.0 114.018 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -67.75 -42.72 6.26 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 C-N-CA 124.609 3.539 . . . . 0.0 118.372 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -94.82 -126.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 127.346 3.659 . . . . 0.0 111.396 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.14 126.3 36.88 Favored Pre-proline 0 C--N 1.356 0.853 0 C-N-CA 126.222 1.809 . . . . 0.0 109.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.78 -44.18 43.14 Favored 'Trans proline' 0 C--N 1.359 1.118 1 C-N-CA 125.512 4.141 . . . . 0.0 121.325 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.58 95.06 1.06 Allowed 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.553 4.09 . . . . 0.0 113.058 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.93 141.46 16.02 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 125.344 1.457 . . . . 0.0 108.728 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -85.18 163.63 11.4 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 123.893 3.062 . . . . 0.0 112.774 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.24 134.77 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.515 3.476 . . . . 0.0 111.803 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -130.46 138.1 50.12 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.968 1.707 . . . . 0.0 108.089 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.257 2.1 m 86.55 40.68 0.02 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 128.259 2.624 . . . . 0.0 112.376 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mp -106.83 -64.9 1.13 Allowed 'General case' 0 C--N 1.36 1.053 0 O-C-N 120.406 -1.434 . . . . 0.0 110.427 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.3 t -104.39 27.3 7.97 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.983 2.113 . . . . 0.0 111.142 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 tttp 91.01 79.45 0.01 OUTLIER 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.812 3.245 . . . . 0.0 109.145 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.284 2.6 mm? 76.56 -42.67 0.44 Allowed 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 111.943 -173.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.311 28.8 tt0 -72.96 178.72 4.12 Favored 'General case' 0 CA--C 1.538 0.486 1 C-N-CA 137.392 6.277 . . . . 0.0 113.801 174.176 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 . . . . . 0 C--N 1.365 1.257 0 C-N-CA 126.102 1.761 . . . . 0.0 109.547 168.074 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 11.1 tpt . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 123.553 1.644 . . . . 0.0 107.578 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.1 -97.03 1.94 Allowed Glycine 0 C--N 1.359 1.854 0 C-N-CA 126.905 2.193 . . . . 0.0 110.925 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.409 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 1.3 mt -123.62 133.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 120.751 -1.441 . . . . 0.0 108.085 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -91.91 70.59 5.56 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 120.257 -1.527 . . . . 0.0 114.86 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 4.0 m-85 -74.93 -48.74 23.01 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-O 125.404 2.525 . . . . 0.0 112.116 147.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.556 1.5 t -62.32 -46.37 89.03 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.411 3.484 . . . . 0.0 120.052 -163.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.62 -25.22 50.24 Favored Glycine 0 C--N 1.386 3.322 0 CA-C-N 124.318 3.235 . . . . 0.0 116.081 163.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.256 0.4 OUTLIER -77.07 -51.98 10.12 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 119.264 -2.316 . . . . 0.0 113.593 174.791 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.605 HH22 ' H ' ' A' ' 63' ' ' ALA 0.308 0.0 OUTLIER -66.88 -31.84 72.7 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 173.449 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.509 0.6 OUTLIER -83.24 -25.43 31.7 Favored 'General case' 0 C--N 1.35 0.616 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 175.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.12 -34.66 3.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-N 120.243 1.383 . . . . 0.0 110.973 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -114.76 -21.0 10.4 Favored 'General case' 0 C--N 1.372 1.562 0 O-C-N 118.631 -2.543 . . . . 0.0 113.211 -172.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -66.65 2.39 Favored Glycine 0 C--N 1.36 1.882 0 N-CA-C 117.901 1.92 . . . . 0.0 117.901 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.22 -43.78 95.74 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.299 3.04 . . . . 0.0 118.512 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 15.7 ttmt -159.67 -165.18 1.48 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 17.7 mt -100.09 119.36 59.56 Favored Pre-proline 0 N--CA 1.426 -1.65 0 C-N-CA 129.323 3.049 . . . . 0.0 107.449 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HG3' HD13 ' A' ' 20' ' ' ILE . 97.8 Cg_endo -74.4 -179.0 4.36 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 125.865 4.377 . . . . 0.0 116.245 178.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 7.3 tt0 -79.63 153.57 29.3 Favored 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 130.205 3.402 . . . . 0.0 116.906 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -51.84 -24.56 6.29 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 38.3 p-80 -67.73 -46.55 71.81 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 126.321 1.848 . . . . 0.0 111.292 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD13 ' HG3' ' A' ' 16' ' ' PRO . 3.3 pt -77.88 -40.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 O-C-N 121.05 -1.031 . . . . 0.0 113.184 167.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CD1' ' HB1' ' A' ' 27' ' ' ALA 0.376 0.9 OUTLIER -70.88 -50.92 29.89 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 123.916 0.886 . . . . 0.0 109.716 -169.343 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 33' ' ' SER . 11.2 m-85 -76.38 -11.75 59.95 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 121.843 2.111 . . . . 0.0 113.971 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.95 -21.15 10.75 Favored 'General case' 0 C--N 1.383 2.061 0 N-CA-C 119.962 3.319 . . . . 0.0 119.962 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -102.95 138.16 40.2 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.682 -1.887 . . . . 0.0 109.262 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 t -59.12 -28.48 39.08 Favored 'Isoleucine or valine' 0 C--N 1.375 1.71 0 C-N-CA 126.794 2.038 . . . . 0.0 115.583 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.13 14.43 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 130.931 3.692 . . . . 0.0 113.235 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -109.88 -33.21 6.79 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.823 2.049 . . . . 0.0 113.539 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -65.59 -28.14 68.92 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 -175.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -8.24 37.52 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.571 2.748 . . . . 0.0 114.332 175.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 0' ' ' MET . 0.2 OUTLIER -114.78 -69.19 0.87 Allowed 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 128.731 2.813 . . . . 0.0 113.3 -160.388 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.7 m -157.71 149.23 16.92 Favored Pre-proline 0 CA--C 1.475 -1.928 1 N-CA-C 98.628 -4.582 . . . . 0.0 98.628 169.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -84.54 -38.95 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 N-CA-C 120.755 3.329 . . . . 0.0 120.755 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' HB3' ' CE2' ' A' ' 22' ' ' PHE 0.782 0.3 OUTLIER 178.81 -175.43 0.21 Allowed 'General case' 0 C--N 1.363 1.172 0 CA-C-N 123.803 3.001 . . . . 0.0 112.902 -177.937 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 m-85 -43.69 -22.43 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.003 1 C-N-CA 131.852 4.061 . . . . 0.0 119.116 -177.304 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.2 63.34 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 130.288 3.435 . . . . 0.0 113.645 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 27.3 t80 -74.69 -41.76 59.66 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.274 2.63 . . . . 0.0 106.5 171.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 6.6 mt -59.82 -42.19 92.97 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -41.76 97.58 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 175.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -68.78 -37.96 79.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.034 1.733 . . . . 0.0 114.497 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.86 -34.82 64.64 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 125.675 1.59 . . . . 0.0 113.624 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.1 -9.86 54.31 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 120.252 -1.53 . . . . 0.0 114.339 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.01 -12.7 2.9 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 117.319 1.688 . . . . 0.0 117.319 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.71 145.23 44.57 Favored 'General case' 0 C--N 1.365 1.283 0 C-N-CA 126.173 1.789 . . . . 0.0 113.731 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -63.68 42.7 0.01 OUTLIER 'General case' 0 C--N 1.372 1.574 0 C-N-CA 131.28 3.832 . . . . 0.0 116.954 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 p -73.28 -34.93 66.05 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 131.086 3.754 . . . . 0.0 113.12 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.38 4.22 1.87 Allowed 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -67.5 -25.04 65.66 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.607 2.763 . . . . 0.0 113.628 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.1 m -147.68 129.28 15.05 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.72 -1.863 . . . . 0.0 107.946 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -48.44 -50.97 29.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.884 2.874 . . . . 0.0 113.437 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.71 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -68.09 -34.55 76.63 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 130.674 3.589 . . . . 0.0 115.936 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -73.55 -46.3 48.32 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 125.972 1.709 . . . . 0.0 113.006 172.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.26 7.0 p -65.23 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.387 2.207 0 C-N-CA 124.5 1.12 . . . . 0.0 110.953 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CZ2' ' HB3' ' A' ' 15' ' ' LEU 0.285 0.0 OUTLIER -62.28 -47.91 82.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.306 2.242 . . . . 0.0 112.655 170.089 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.88 -45.24 70.99 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 122.872 2.578 . . . . 0.0 115.721 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.1 -42.12 94.3 Favored 'General case' 0 C--N 1.378 1.848 0 CA-C-O 123.591 1.662 . . . . 0.0 112.932 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -46.6 89.73 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' CG ' ' A' ' 60' ' ' TYR 0.93 1.6 m -66.57 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 129.284 3.034 . . . . 0.0 114.273 171.045 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.02 -37.16 86.08 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 125.889 1.676 . . . . 0.0 112.555 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB3' ' CE1' ' A' ' 4' ' ' TYR 0.327 . . -63.76 -46.17 86.48 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.547 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CD1' ' HD3' ' A' ' 8' ' ' ARG . 47.4 t80 -49.33 -13.04 0.06 Allowed 'General case' 0 C--N 1.36 1.06 1 C-N-CA 133.122 4.569 . . . . 0.0 116.632 -161.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.37 6.2 61.37 Favored Glycine 0 CA--C 1.541 1.661 0 O-C-N 119.549 -1.969 . . . . 0.0 117.14 161.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -90.26 -46.77 8.2 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -177.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.605 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -103.0 29.55 5.38 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 118.691 -2.506 . . . . 0.0 113.332 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -105.16 134.57 19.59 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.515 1.926 . . . . 0.0 109.08 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -84.71 160.24 12.28 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 123.545 2.83 . . . . 0.0 111.315 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.36 70.1 7.36 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.963 3.775 . . . . 0.0 110.775 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.02 164.35 21.0 Favored Pre-proline 0 N--CA 1.444 -0.756 0 C-N-CA 127.507 2.323 . . . . 0.0 106.863 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.57 176.0 10.04 Favored 'Trans proline' 0 CA--C 1.554 1.518 0 C-N-CA 124.628 3.552 . . . . 0.0 112.325 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -64.88 122.95 10.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 124.799 3.666 . . . . 0.0 114.802 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.69 155.3 81.48 Favored Pre-proline 0 C--N 1.356 0.868 0 C-N-CA 125.41 1.484 . . . . 0.0 110.006 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.3 168.26 15.03 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 124.897 3.732 . . . . 0.0 111.979 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -80.6 145.46 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.192 3.262 . . . . 0.0 113.192 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.12 132.51 52.92 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.614 1.966 . . . . 0.0 105.862 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.5 p -98.12 -87.36 0.33 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.516 1.126 . . . . 0.0 111.794 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.16 138.03 20.1 Favored 'General case' 0 N--CA 1.449 -0.494 1 N-CA-C 99.106 -4.405 . . . . 0.0 99.106 177.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -110.45 10.57 23.26 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.901 2.137 . . . . 0.0 114.952 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.19 86.2 7.05 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.483 1.513 . . . . 0.0 112.075 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.259 25.0 tp 100.12 -35.74 0.01 OUTLIER 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.374 3.07 . . . . 0.0 111.388 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -69.78 -45.94 66.9 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 130.16 3.384 . . . . 0.0 114.407 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.6 t60 . . . . . 0 C--N 1.363 1.185 0 C-N-CA 128.563 2.745 . . . . 0.0 114.439 -178.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.1 60.44 Favored Glycine 0 C--N 1.368 2.345 0 C-N-CA 127.619 2.533 . . . . 0.0 116.622 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.6 127.57 73.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 171.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 31' ' ' VAL . 50.9 t0 -79.15 75.23 5.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -175.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.263 1.8 m-85 -76.3 -54.68 6.42 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.789 1.636 . . . . 0.0 114.599 149.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.452 0.2 OUTLIER -56.81 -46.77 81.41 Favored 'General case' 0 C--N 1.378 1.832 1 N-CA-C 122.848 4.388 . . . . 0.0 122.848 -163.029 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.8 -29.16 61.29 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 123.679 2.945 . . . . 0.0 112.787 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HG ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -77.2 -44.16 31.08 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 119.383 -2.245 . . . . 0.0 112.396 176.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 60' ' ' TYR 0.344 0.0 OUTLIER -69.06 -35.6 76.72 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 173.062 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.72 -33.31 31.17 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 175.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -88.97 -39.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.373 1.597 0 O-C-N 120.189 -1.569 . . . . 0.0 112.88 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -109.94 -19.71 13.0 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 123.054 2.661 . . . . 0.0 112.957 -171.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.46 -85.46 1.55 Allowed Glycine 0 C--N 1.358 1.768 0 C-N-CA 125.091 1.329 . . . . 0.0 115.847 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.68 -46.26 86.32 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.791 2.836 . . . . 0.0 117.908 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 8.7 ttmt -139.19 -167.08 2.16 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 124.829 2.252 . . . . 0.0 110.919 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 22.1 mt -105.5 127.73 27.96 Favored Pre-proline 0 N--CA 1.428 -1.555 0 C-N-CA 130.906 3.682 . . . . 0.0 108.574 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 89.6 Cg_endo -73.93 -179.83 5.0 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 124.818 3.678 . . . . 0.0 116.917 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 33.6 tt0 -80.78 148.72 29.91 Favored 'General case' 0 N--CA 1.431 -1.397 1 C-N-CA 134.0 4.92 . . . . 0.0 111.419 177.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -25.86 19.32 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 121.157 3.762 . . . . 0.0 121.157 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -63.08 -47.3 83.49 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.809 2.444 . . . . 0.0 112.462 177.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.544 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -78.32 -41.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.226 1.41 . . . . 0.0 111.945 166.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 27' ' ' ALA 0.376 0.7 OUTLIER -67.38 -51.86 46.94 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.831 -169.169 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -75.15 -16.66 60.51 Favored 'General case' 0 C--N 1.372 1.559 0 CA-C-N 122.241 2.291 . . . . 0.0 112.654 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.61 -20.96 11.51 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -101.65 134.17 45.21 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 119.421 -2.049 . . . . 0.0 110.46 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.89 -25.41 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 129.866 3.266 . . . . 0.0 114.925 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.85 24.17 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 130.825 3.65 . . . . 0.0 111.316 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . . . -109.9 -39.54 5.04 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 169.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -61.34 -18.58 59.3 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -63.04 -19.55 64.48 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.326 2.251 . . . . 0.0 115.234 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -112.59 -82.37 0.59 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.851 2.86 . . . . 0.0 113.558 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 3' ' ' ASP . 5.6 t -132.41 135.07 25.67 Favored Pre-proline 0 CA--C 1.48 -1.714 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.37 -37.3 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.515 0 CA-C-N 124.002 2.465 . . . . 0.0 117.138 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.8 0.6 OUTLIER -179.42 -175.9 0.37 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 124.076 3.125 . . . . 0.0 114.089 -176.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 22.3 m-85 -43.91 -21.57 0.04 OUTLIER 'General case' 0 C--N 1.376 1.719 1 C-N-CA 133.443 4.697 . . . . 0.0 117.625 -177.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.32 51.11 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 130.382 3.473 . . . . 0.0 114.235 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -74.63 -48.61 25.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.19 2.196 . . . . 0.0 106.928 172.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.487 0.4 OUTLIER -61.92 -29.88 70.51 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 117.406 2.372 . . . . 0.0 117.406 178.235 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -70.56 -44.63 67.03 Favored 'General case' 0 C--N 1.379 1.874 0 O-C-N 119.335 -2.103 . . . . 0.0 114.882 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -69.04 -34.38 75.11 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.062 1.745 . . . . 0.0 114.205 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.5 -40.12 64.32 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.384 1.474 . . . . 0.0 114.275 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.84 -10.41 45.48 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 117.002 -1.879 . . . . 0.0 113.809 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.41 25.12 75.98 Favored Glycine 0 C--N 1.371 2.491 0 CA-C-N 119.929 1.24 . . . . 0.0 112.364 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.21 149.21 24.53 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.749 1.619 . . . . 0.0 115.165 -164.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 m -101.89 -1.0 33.06 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 126.915 2.086 . . . . 0.0 113.086 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 m -73.04 -16.89 61.48 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.213 2.205 . . . . 0.0 116.044 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.79 4.28 2.07 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -79.78 -23.41 42.19 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.495 2.318 . . . . 0.0 113.539 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.2 m -133.28 126.1 30.73 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -57.54 -36.44 71.62 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -33.96 69.6 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.182 2.193 . . . . 0.0 113.289 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -72.85 -46.79 51.05 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.089 2.156 . . . . 0.0 113.676 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 13.1 p -67.5 -44.74 86.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.084 0 O-C-N 120.513 -1.367 . . . . 0.0 110.972 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . 0.351 0.0 OUTLIER -62.93 -34.6 77.79 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.388 1.075 . . . . 0.0 112.778 173.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -63.28 -45.66 90.44 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 122.131 2.241 . . . . 0.0 114.538 167.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.24 -35.4 79.47 Favored 'General case' 0 C--N 1.378 1.816 0 CA-C-N 121.485 1.948 . . . . 0.0 113.605 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -49.12 69.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.351 1.461 . . . . 0.0 114.074 173.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.094 2.7 m -61.46 -31.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 128.564 2.745 . . . . 0.0 114.961 168.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.63 -40.22 96.34 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 125.515 1.526 . . . . 0.0 112.737 163.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.342 . . -62.03 -39.44 92.33 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.202 1.801 . . . . 0.0 115.602 170.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' CE1' ' HG2' ' A' ' 8' ' ' ARG . 24.8 t80 -51.17 -13.34 0.17 Allowed 'General case' 0 CA--C 1.553 1.085 1 C-N-CA 131.826 4.051 . . . . 0.0 115.758 -169.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.82 4.75 75.83 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.59 2.043 . . . . 0.0 116.147 166.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.01 -52.23 4.68 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 121.406 2.603 . . . . 0.0 116.158 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -80.59 0.81 32.36 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 119.52 -1.987 . . . . 0.0 114.458 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.92 85.94 2.15 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 125.938 1.695 . . . . 0.0 112.666 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -80.42 -179.7 5.42 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 124.004 3.136 . . . . 0.0 110.431 173.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.68 71.39 4.78 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.948 3.099 . . . . 0.0 112.57 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.35 173.79 3.98 Favored Pre-proline 0 C--N 1.355 0.847 0 C-N-CA 128.296 2.638 . . . . 0.0 104.97 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -90.26 102.32 0.3 Allowed 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 124.299 3.333 . . . . 0.0 111.849 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.8 70.1 6.62 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 C-N-CA 124.822 3.682 . . . . 0.0 114.404 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 83.11 100.04 0.03 OUTLIER Pre-proline 0 C--N 1.362 1.141 0 C-N-CA 131.4 3.88 . . . . 0.0 112.353 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.89 154.2 19.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 123.465 2.777 . . . . 0.0 111.844 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.86 133.75 15.66 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 124.154 3.236 . . . . 0.0 111.295 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -122.43 125.44 45.85 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.23 -1.544 . . . . 0.0 111.32 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 p -105.11 127.15 52.76 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 172.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.02 69.04 4.18 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.055 -2.278 . . . . 0.0 115.043 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t 47.56 -143.02 0.41 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 130.916 3.686 . . . . 0.0 119.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -108.3 -49.1 3.24 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 129.269 3.027 . . . . 0.0 110.164 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.78 31.44 6.74 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.007 2.123 . . . . 0.0 109.723 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.752 2.1 mp0 61.66 105.31 0.02 OUTLIER 'General case' 0 C--N 1.352 0.674 1 C-N-CA 133.161 4.585 . . . . 0.0 119.484 -178.493 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.342 0.3 OUTLIER . . . . . 0 C--N 1.361 1.066 1 C-N-CA 133.783 4.833 . . . . 0.0 117.472 -176.803 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.44 -0.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 64.01 -58.77 0.06 OUTLIER Glycine 0 C--N 1.361 1.969 0 C-N-CA 129.264 3.316 . . . . 0.0 117.982 174.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.484 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 1.4 mt -123.56 142.02 41.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.519 ' CG ' HD11 ' A' ' 7' ' ' LEU . 25.1 t0 -81.92 68.78 8.43 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 118.542 2.793 . . . . 0.0 118.542 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 2' ' ' ILE 0.52 0.3 OUTLIER -76.57 -67.35 0.7 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 129.743 3.217 . . . . 0.0 118.988 155.062 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.303 3.8 m -56.6 -47.05 80.43 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.24 -22.63 69.31 Favored Glycine 0 C--N 1.377 2.836 0 CA-C-N 122.772 2.533 . . . . 0.0 114.07 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.519 HD11 ' CG ' ' A' ' 3' ' ' ASP 0.351 2.0 mp -76.95 -44.25 32.09 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 116.952 -3.675 . . . . 0.0 111.267 176.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 60' ' ' TYR 0.305 0.0 OUTLIER -69.76 -42.28 74.07 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 170.435 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.409 0.6 OUTLIER -82.81 -21.96 34.35 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -101.84 -32.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.314 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.964 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.4 -30.45 5.55 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 124.021 3.101 . . . . 0.0 112.987 -173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.52 -112.86 2.76 Favored Glycine 0 C--N 1.359 1.83 0 N-CA-C 118.875 2.31 . . . . 0.0 118.875 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 120.836 3.643 . . . . 0.0 120.836 -168.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -142.27 176.69 8.79 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 102.762 -3.051 . . . . 0.0 102.762 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 56' ' ' PHE . 13.2 mt -76.48 138.45 67.3 Favored Pre-proline 0 C--N 1.355 0.815 0 O-C-N 120.698 -1.251 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -85.19 173.29 7.93 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.553 2.835 . . . . 0.0 112.971 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.2 mp0 -61.19 152.91 27.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.765 2.826 . . . . 0.0 117.037 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.356 2.8 p -58.26 -23.68 56.91 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 120.269 3.433 . . . . 0.0 120.269 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 45.3 p-80 -63.65 -46.6 84.89 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 127.8 2.44 . . . . 0.0 111.116 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.261 14.0 pt -77.87 -43.48 28.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 165.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.477 1.0 OUTLIER -62.14 -53.79 50.36 Favored 'General case' 0 C--N 1.373 1.596 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -174.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 32.2 m-85 -75.22 -17.54 60.32 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 122.757 2.526 . . . . 0.0 112.246 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.41 -20.52 11.76 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.2 m -100.99 129.12 46.78 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 121.286 1.857 . . . . 0.0 111.236 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -49.52 -36.34 10.14 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.281 3.433 . . . . 0.0 114.947 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.6 -32.04 11.93 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 129.163 2.985 . . . . 0.0 114.075 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.06 -39.7 4.95 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.585 -0.697 . . . . 0.0 112.067 166.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -60.7 -19.02 57.66 Favored 'General case' 0 C--N 1.375 1.699 0 O-C-N 118.565 -2.584 . . . . 0.0 117.278 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -14.88 63.32 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.954 2.102 . . . . 0.0 115.085 175.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -113.65 -60.8 1.83 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.136 2.974 . . . . 0.0 115.104 -170.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 3.1 t -158.7 137.92 8.25 Favored Pre-proline 0 CA--C 1.491 -1.325 0 N-CA-C 101.11 -3.663 . . . . 0.0 101.11 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.68 -38.22 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 CA-C-N 125.144 2.873 . . . . 0.0 118.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.954 0.6 OUTLIER 179.55 -175.1 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 123.933 3.06 . . . . 0.0 114.294 -177.92 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE2' ' CH2' ' A' ' 53' ' ' TRP . 18.8 m-85 -43.49 -24.72 0.12 Allowed 'General case' 0 N--CA 1.503 2.192 1 C-N-CA 132.523 4.329 . . . . 0.0 118.3 -175.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.87 67.83 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.819 3.248 . . . . 0.0 113.927 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE2' HG21 ' A' ' 31' ' ' VAL . 4.7 t80 -74.64 -37.19 62.85 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.352 2.261 . . . . 0.0 107.479 172.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 8.4 mt -59.84 -37.02 78.07 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.77 -39.99 84.08 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -68.41 -37.83 80.71 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 125.778 1.631 . . . . 0.0 113.166 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.32 -48.83 39.08 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.408 2.283 . . . . 0.0 114.525 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mp -110.47 -8.7 14.63 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 116.74 -1.984 . . . . 0.0 115.125 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 31.29 64.38 Favored Glycine 0 C--N 1.375 2.725 0 CA-C-N 120.883 1.674 . . . . 0.0 114.118 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -84.98 133.04 34.27 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 -166.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 p -85.13 -1.39 56.82 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 128.722 2.809 . . . . 0.0 110.899 170.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -73.22 -24.43 60.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.599 3.56 . . . . 0.0 111.352 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.66 3.99 2.16 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -82.35 -15.14 53.88 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.928 2.491 . . . . 0.0 112.671 173.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.5 m -147.6 140.47 24.89 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.743 -1.848 . . . . 0.0 109.075 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.46 -46.8 83.23 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 125.929 1.692 . . . . 0.0 113.911 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.46 -34.3 75.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.094 2.158 . . . . 0.0 113.887 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -73.65 -46.88 43.92 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.597 2.359 . . . . 0.0 115.292 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.14 -40.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.376 1.724 0 O-C-N 120.221 -1.549 . . . . 0.0 111.108 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.448 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -64.33 -34.27 77.75 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.533 1.533 . . . . 0.0 113.685 169.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HE2' ' HZ3' ' A' ' 55' ' ' LYS . 27.5 tttt -67.71 -43.33 80.28 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.291 2.236 . . . . 0.0 114.357 170.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HZ3' ' HE2' ' A' ' 54' ' ' LYS . 13.4 mptt -65.36 -38.51 90.27 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 124.446 2.07 . . . . 0.0 110.684 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 15' ' ' LEU . 2.8 m-85 -64.03 -42.73 96.98 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 113.439 -1.71 . . . . 0.0 114.554 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.106 25.1 m -67.2 -32.02 55.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 130.182 3.393 . . . . 0.0 115.571 172.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.78 -39.73 95.14 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.446 2.299 . . . . 0.0 110.695 162.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 4' ' ' TYR 0.321 . . -64.29 -43.49 94.6 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 167.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CD2' ' HD3' ' A' ' 8' ' ' ARG . 12.4 t80 -51.21 -13.84 0.21 Allowed 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 131.918 4.087 . . . . 0.0 114.67 -167.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.53 5.98 84.14 Favored Glycine 0 CA--C 1.544 1.87 0 O-C-N 119.241 -2.162 . . . . 0.0 118.28 162.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -52.61 4.33 Favored 'General case' 0 C--N 1.376 1.756 0 CA-C-N 121.843 2.822 . . . . 0.0 115.862 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.06 29.38 1.87 Allowed 'General case' 0 C--N 1.363 1.155 0 O-C-N 119.044 -2.285 . . . . 0.0 112.25 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -83.92 133.83 45.2 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 127.902 2.481 . . . . 0.0 113.301 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -85.67 158.24 10.56 Favored 'Trans proline' 0 CA--C 1.557 1.656 0 C-N-CA 123.891 3.061 . . . . 0.0 110.978 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.43 65.23 8.74 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 124.549 3.499 . . . . 0.0 112.024 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.14 166.66 10.49 Favored Pre-proline 0 C--N 1.356 0.878 0 C-N-CA 126.155 1.782 . . . . 0.0 106.349 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.48 164.78 28.19 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 C-N-CA 124.446 3.431 . . . . 0.0 113.251 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.4 73.27 5.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.623 3.549 . . . . 0.0 112.828 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.35 170.04 12.26 Favored Pre-proline 0 C--N 1.357 0.923 0 C-N-CA 128.477 2.711 . . . . 0.0 110.993 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -69.31 151.14 71.65 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 124.059 3.173 . . . . 0.0 115.113 -174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 145.54 31.68 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 124.428 3.419 . . . . 0.0 113.021 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.8 tp -114.47 146.27 40.87 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.27 1.828 . . . . 0.0 108.353 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.262 6.4 m 82.0 40.95 0.04 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.394 3.078 . . . . 0.0 110.54 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -97.3 -25.34 15.29 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.9 p -122.96 -68.66 0.87 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-N 120.984 1.72 . . . . 0.0 113.504 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -36.95 -70.04 0.1 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 131.248 3.819 . . . . 0.0 118.52 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.53 51.39 0.74 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.996 1.718 . . . . 0.0 107.275 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.97 -134.95 0.03 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.724 1.61 . . . . 0.0 107.532 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 . . . . . 0 C--N 1.358 0.938 0 C-N-CA 124.758 1.223 . . . . 0.0 108.494 178.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -73.12 -54.13 7.24 Favored Glycine 0 C--N 1.369 2.362 0 C-N-CA 126.015 1.769 . . . . 0.0 115.403 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.443 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 1.9 mp -108.57 140.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 170.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' H ' ' A' ' 31' ' ' VAL . 31.1 t0 -82.94 75.6 9.82 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 120.087 -1.633 . . . . 0.0 111.996 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 59' ' ' ALA 0.398 6.9 m-85 -77.16 -59.36 2.81 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.587 1.955 . . . . 0.0 113.757 147.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.935 4.1 p -61.9 -36.67 81.99 Favored 'General case' 0 C--N 1.38 1.897 1 N-CA-C 124.115 4.857 . . . . 0.0 124.115 -166.763 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -63.09 -26.59 69.34 Favored Glycine 0 C--N 1.381 3.059 1 CA-C-N 126.216 4.098 . . . . 0.0 113.379 163.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.325 0.0 OUTLIER -77.03 -48.65 17.31 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 119.97 -1.9 . . . . 0.0 111.939 174.549 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.512 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.327 0.0 OUTLIER -68.32 -34.55 76.34 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.629 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.408 0.4 OUTLIER -82.23 -31.86 30.02 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.473 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 2.6 mp -86.09 -39.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.379 1.881 0 CA-C-N 121.491 1.95 . . . . 0.0 112.274 172.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -109.95 -16.48 13.83 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 122.833 2.561 . . . . 0.0 113.455 -170.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.4 -77.24 1.74 Allowed Glycine 0 C--N 1.36 1.872 0 C-N-CA 125.392 1.472 . . . . 0.0 115.477 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -51.04 71.17 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 129.518 3.127 . . . . 0.0 118.566 -173.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 6.8 ttmm -148.3 -153.61 0.5 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-O 124.238 1.971 . . . . 0.0 112.181 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 16.2 mt -113.53 133.16 22.23 Favored Pre-proline 0 N--CA 1.441 -0.91 0 C-N-CA 129.145 2.978 . . . . 0.0 110.205 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 62.0 Cg_endo -80.42 178.27 7.26 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 125.06 3.84 . . . . 0.0 114.251 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -94.87 161.86 13.99 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 129.605 3.162 . . . . 0.0 111.397 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.253 0.8 OUTLIER -51.34 -23.68 3.93 Favored 'General case' 0 C--N 1.355 0.835 1 N-CA-C 124.501 5.0 . . . . 0.0 124.501 -171.64 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CE1' HG23 ' A' ' 20' ' ' ILE . 19.9 p-80 -72.15 -47.66 49.3 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 122.502 2.41 . . . . 0.0 111.612 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' A' ' 19' ' ' HIS 0.335 0.0 OUTLIER -77.76 -34.61 20.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 126.244 1.817 . . . . 0.0 111.244 173.059 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.456 0.5 OUTLIER -71.51 -54.01 11.95 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.775 174.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.301 58.2 m-85 -75.21 -27.01 59.4 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-N 124.965 3.529 . . . . 0.0 114.216 176.334 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.05 11.42 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -96.59 144.55 26.54 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.724 -1.86 . . . . 0.0 109.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.374 0.2 OUTLIER -67.38 -3.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 O-C-N 119.461 -2.024 . . . . 0.0 116.44 -175.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.4 -44.83 55.16 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 129.772 3.229 . . . . 0.0 111.387 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.21 -38.67 5.21 Favored 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 129.744 3.218 . . . . 0.0 118.327 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -22.28 5.11 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -169.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -15.14 60.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.17 2.588 . . . . 0.0 113.082 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -106.01 -108.93 0.3 Allowed 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.336 1.854 . . . . 0.0 107.841 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.1 m -115.67 145.03 33.69 Favored Pre-proline 0 CA--C 1.476 -1.892 0 N-CA-C 100.861 -3.755 . . . . 0.0 100.861 174.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.3 Cg_endo -80.67 -37.42 0.36 Allowed 'Trans proline' 0 N--CA 1.432 -2.132 0 CA-C-O 115.678 -1.884 . . . . 0.0 115.287 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.673 0.6 OUTLIER -178.8 -175.49 0.41 Allowed 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 124.835 3.47 . . . . 0.0 112.983 -174.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.2 m-85 -44.31 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 131.649 3.98 . . . . 0.0 117.269 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.59 68.04 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 128.075 2.55 . . . . 0.0 114.547 171.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 57.4 t80 -74.82 -51.0 15.17 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.072 1.749 . . . . 0.0 107.328 170.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.571 4.2 pp -64.62 -29.49 70.5 Favored 'General case' 0 C--N 1.363 1.166 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -175.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttp-105 -72.46 -48.19 42.87 Favored 'General case' 0 C--N 1.377 1.768 0 O-C-N 119.378 -2.076 . . . . 0.0 114.993 172.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -68.96 -34.72 75.8 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 124.638 1.175 . . . . 0.0 113.847 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -75.89 -35.81 59.71 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 124.996 1.318 . . . . 0.0 113.871 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.63 -10.34 54.06 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 122.013 2.188 . . . . 0.0 112.232 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.6 30.64 66.19 Favored Glycine 0 C--N 1.374 2.66 0 C-N-CA 126.794 2.14 . . . . 0.0 111.916 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -115.97 149.07 39.38 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -159.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -96.79 31.18 2.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.064 2.546 . . . . 0.0 112.308 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 p -73.19 -8.99 58.2 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 131.404 3.882 . . . . 0.0 113.228 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.18 4.6 1.2 Allowed 'General case' 0 C--N 1.354 0.795 1 C-N-CA 134.003 4.921 . . . . 0.0 117.64 -169.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -75.48 -58.41 3.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 130.29 3.436 . . . . 0.0 114.981 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.6 p -142.47 152.79 43.07 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.587 1.955 . . . . 0.0 109.878 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -61.58 -27.15 68.43 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.397 1.879 . . . . 0.0 113.011 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.621 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -72.63 -43.89 62.63 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.428 2.691 . . . . 0.0 112.352 176.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.36 -47.09 52.25 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 126.889 2.076 . . . . 0.0 113.842 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.285 9.0 p -64.86 -49.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.919 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.49 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.453 0.0 OUTLIER -59.52 -32.09 69.98 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 125.321 1.448 . . . . 0.0 114.906 173.136 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.44 -51.05 67.33 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.407 -1.433 . . . . 0.0 114.238 167.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -67.27 -36.74 82.22 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-O 124.052 1.882 . . . . 0.0 113.576 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 123.785 1.755 . . . . 0.0 112.889 175.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.148 1.0 OUTLIER -65.9 -30.27 49.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 127.957 2.503 . . . . 0.0 114.425 174.106 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.56 -42.67 99.69 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 124.954 1.302 . . . . 0.0 113.622 160.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 4' ' ' TYR 0.324 . . -60.32 -35.71 76.25 Favored 'General case' 0 C--N 1.394 2.503 0 O-C-N 119.565 -1.959 . . . . 0.0 114.816 169.469 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.462 ' CE1' ' HG2' ' A' ' 8' ' ' ARG . 20.0 t80 -51.79 -13.52 0.28 Allowed 'General case' 0 CA--C 1.568 1.654 0 C-N-CA 129.628 3.171 . . . . 0.0 115.501 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.36 6.39 57.76 Favored Glycine 0 C--N 1.361 1.925 0 C-N-CA 127.486 2.469 . . . . 0.0 116.243 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HZ2' HD12 ' A' ' 2' ' ' ILE 0.325 0.0 OUTLIER -96.31 -41.85 8.45 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 121.741 2.771 . . . . 0.0 117.033 -176.865 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -97.35 -4.43 38.53 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.919 2.088 . . . . 0.0 113.698 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 113.23 10.29 Favored Pre-proline 0 CA--C 1.562 1.418 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.84 157.34 27.55 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 C-N-CA 123.264 2.643 . . . . 0.0 110.796 171.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.06 39.02 0.72 Allowed 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 124.455 3.436 . . . . 0.0 114.399 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.74 65.33 0.45 Allowed Pre-proline 0 C--N 1.358 0.965 0 C-N-CA 125.504 1.522 . . . . 0.0 112.265 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.33 114.85 3.6 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 C-N-CA 124.416 3.411 . . . . 0.0 111.465 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -88.65 178.11 2.93 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.793 2.995 . . . . 0.0 112.545 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.14 -48.66 26.66 Favored Pre-proline 0 C--N 1.365 1.279 0 C-N-CA 126.997 2.119 . . . . 0.0 116.503 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -84.25 141.43 9.14 Favored 'Trans proline' 0 CA--C 1.555 1.548 0 CA-C-N 125.417 2.97 . . . . 0.0 111.332 173.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.3 153.99 40.78 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.635 3.557 . . . . 0.0 112.809 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -113.39 103.77 11.63 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 124.747 1.219 . . . . 0.0 111.935 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -98.89 -68.2 0.81 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.131 1.773 . . . . 0.0 107.179 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -142.47 54.02 1.43 Allowed 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -112.18 -145.76 0.4 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.939 1.695 . . . . 0.0 111.132 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 tptp 68.91 -67.99 0.2 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 131.11 3.764 . . . . 0.0 114.246 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.46 -22.99 22.22 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.218 1.807 . . . . 0.0 110.308 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.77 50.23 0.78 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 128.829 2.852 . . . . 0.0 105.899 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.358 0.953 0 N-CA-C 119.178 3.029 . . . . 0.0 119.178 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.6 -35.72 21.8 Favored Glycine 0 C--N 1.365 2.161 0 C-N-CA 127.133 2.301 . . . . 0.0 111.106 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.93 134.31 59.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 168.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' CG ' HD13 ' A' ' 7' ' ' LEU . 28.2 t0 -79.08 68.21 4.98 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 -174.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 59' ' ' ALA 0.467 2.2 m-85 -76.05 -62.85 1.46 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 129.053 2.941 . . . . 0.0 116.124 156.327 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.454 1.7 m -56.59 -46.51 80.79 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 120.664 3.579 . . . . 0.0 120.664 -163.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.07 -29.33 67.98 Favored Glycine 0 C--N 1.38 3.021 0 CA-C-N 124.933 3.515 . . . . 0.0 115.214 170.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 3' ' ' ASP 0.265 0.8 OUTLIER -76.28 -45.46 32.48 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 129.484 3.113 . . . . 0.0 108.857 177.543 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HD3' ' CD1' ' A' ' 60' ' ' TYR 0.368 0.4 OUTLIER -69.08 -40.87 78.17 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.871 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.406 0.6 OUTLIER -82.26 -22.6 35.72 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -179.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.36 -36.85 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 120.039 1.291 . . . . 0.0 110.422 170.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -109.93 -21.04 12.53 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 123.7 2.954 . . . . 0.0 113.708 -170.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.54 -93.03 1.78 Allowed Glycine 0 C--N 1.357 1.708 0 N-CA-C 116.834 1.493 . . . . 0.0 116.834 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -71.11 -47.8 55.91 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 120.338 3.459 . . . . 0.0 120.338 -170.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -141.31 157.24 45.47 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.05 150.09 60.58 Favored Pre-proline 0 C--N 1.359 0.983 0 C-N-CA 125.173 1.389 . . . . 0.0 111.552 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 21' ' ' PHE . 95.8 Cg_endo -72.61 -179.12 3.85 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 123.988 3.125 . . . . 0.0 119.105 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.7 mp0 -81.69 160.55 23.66 Favored 'General case' 0 N--CA 1.427 -1.595 1 C-N-CA 134.191 4.996 . . . . 0.0 108.331 175.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -62.37 -23.68 66.95 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 54.9 p-80 -65.28 -47.7 75.73 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.829 1.652 . . . . 0.0 112.672 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.315 9.8 pt -78.72 -34.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.448 0 O-C-N 120.933 -1.104 . . . . 0.0 113.722 164.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' HB2' ' HG2' ' A' ' 16' ' ' PRO 0.391 1.1 t80 -71.33 -48.51 49.94 Favored 'General case' 0 C--N 1.376 1.732 0 O-C-N 120.202 -1.561 . . . . 0.0 112.893 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -75.92 -13.79 60.26 Favored 'General case' 0 C--N 1.371 1.527 0 CA-C-N 121.267 1.849 . . . . 0.0 113.195 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.18 -21.05 11.2 Favored 'General case' 0 C--N 1.375 1.695 0 N-CA-C 118.613 2.819 . . . . 0.0 118.613 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 m -104.93 124.82 50.16 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 119.397 -2.064 . . . . 0.0 110.318 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 t -61.73 -17.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 128.343 2.657 . . . . 0.0 115.069 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.16 33.05 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 130.151 3.38 . . . . 0.0 110.953 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.33 -39.1 5.32 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.347 1.059 . . . . 0.0 111.805 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -18.56 8.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 120.216 3.413 . . . . 0.0 120.216 -177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -12.83 61.87 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.929 2.491 . . . . 0.0 114.148 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -110.54 -78.23 0.59 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.22 2.608 . . . . 0.0 111.344 -171.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.516 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 m -139.74 153.58 70.18 Favored Pre-proline 0 CA--C 1.474 -1.96 0 N-CA-C 100.407 -3.923 . . . . 0.0 100.407 173.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.03 -38.08 0.14 Allowed 'Trans proline' 0 N--CA 1.441 -1.586 0 N-CA-C 118.526 2.472 . . . . 0.0 118.526 -173.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.792 0.1 OUTLIER 179.27 -175.78 0.25 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-N 122.675 2.489 . . . . 0.0 113.11 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.7 m-85 -44.27 -20.82 0.03 OUTLIER 'General case' 0 C--N 1.382 2.019 1 C-N-CA 132.844 4.458 . . . . 0.0 117.506 -178.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.86 -44.32 49.68 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 130.461 3.504 . . . . 0.0 114.156 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 11.4 t80 -74.81 -50.39 17.33 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.465 1.906 . . . . 0.0 106.624 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.478 0.3 OUTLIER -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.311 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -65.83 -41.61 91.57 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.678 2.035 . . . . 0.0 115.33 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -69.25 -34.7 75.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.09 1.756 . . . . 0.0 113.521 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.09 -23.95 26.48 Favored 'General case' 0 C--N 1.369 1.452 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.63 -8.68 59.59 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 118.71 -2.494 . . . . 0.0 115.421 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 -13.74 2.47 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 127.816 2.626 . . . . 0.0 116.841 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.63 144.82 42.8 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.517 1.527 . . . . 0.0 113.995 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -70.5 54.3 0.15 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.536 3.534 . . . . 0.0 114.69 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 p -73.03 -37.44 66.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 131.082 3.753 . . . . 0.0 117.442 -173.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 3.94 2.28 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -66.2 -30.05 70.44 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.303 2.241 . . . . 0.0 114.497 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -148.06 127.82 13.42 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.387 -1.445 . . . . 0.0 107.474 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.95 -32.44 72.87 Favored 'General case' 0 C--N 1.382 1.981 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -73.17 -33.88 65.71 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -73.2 -47.03 47.0 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.115 1.366 . . . . 0.0 113.027 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.288 14.6 p -65.87 -47.73 84.49 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-O 117.292 -1.337 . . . . 0.0 111.31 172.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CH2' ' CE1' ' A' ' 34' ' ' TYR 0.487 0.0 OUTLIER -61.77 -34.21 75.46 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 117.546 -1.216 . . . . 0.0 112.871 175.394 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.57 -45.61 92.12 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 122.523 2.419 . . . . 0.0 114.935 165.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -65.78 -39.86 91.41 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 121.971 2.169 . . . . 0.0 113.575 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.74 -52.02 65.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.39 -1.732 . . . . 0.0 114.021 171.282 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.155 4.6 m -60.99 -31.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 128.328 2.651 . . . . 0.0 116.165 169.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.49 -44.69 95.76 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.231 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB3' ' CE1' ' A' ' 4' ' ' TYR 0.333 . . -63.89 -33.47 75.78 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 168.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD1' ' HD3' ' A' ' 8' ' ' ARG . 9.5 t80 -52.37 -13.17 0.32 Allowed 'General case' 0 CA--C 1.588 2.44 0 C-N-CA 128.441 2.696 . . . . 0.0 115.8 -173.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.5 6.93 65.71 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 128.97 3.176 . . . . 0.0 116.259 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -91.74 -52.95 4.5 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.005 3.322 . . . . 0.0 115.339 -177.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.26 29.38 4.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.591 -1.943 . . . . 0.0 112.06 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -88.27 135.55 32.86 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 128.999 2.92 . . . . 0.0 111.91 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -86.19 157.07 9.72 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 123.163 2.576 . . . . 0.0 111.121 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.36 68.27 8.01 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.4 162.41 27.04 Favored Pre-proline 0 N--CA 1.443 -0.809 0 C-N-CA 127.076 2.151 . . . . 0.0 107.665 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.11 172.01 15.46 Favored 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 125.02 3.813 . . . . 0.0 111.804 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 138.46 24.6 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.483 3.455 . . . . 0.0 113.65 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.04 162.06 27.73 Favored Pre-proline 0 C--N 1.353 0.74 0 C-N-CA 126.724 2.009 . . . . 0.0 106.301 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.96 169.13 13.33 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.355 3.37 . . . . 0.0 111.816 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.62 152.91 23.07 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.881 3.054 . . . . 0.0 113.865 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.8 tp -119.63 150.54 40.15 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.413 1.885 . . . . 0.0 110.016 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -93.67 129.56 39.93 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.591 1.956 . . . . 0.0 108.814 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.24 61.56 6.62 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.489 2.316 . . . . 0.0 110.719 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -138.43 51.06 1.86 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.326 1.85 . . . . 0.0 107.685 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -148.94 108.59 4.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 N-CA-C 100.098 -4.038 . . . . 0.0 100.098 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 tp 78.96 -39.49 0.23 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.396 2.278 . . . . 0.0 113.183 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.31 0.71 44.58 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 130.515 3.526 . . . . 0.0 114.1 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--N 1.362 1.144 0 C-N-CA 128.692 2.797 . . . . 0.0 112.796 176.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 tpp . . . . . 0 N--CA 1.444 -0.74 0 CA-C-O 122.423 1.106 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.68 0.72 Allowed Glycine 0 C--N 1.361 1.952 0 C-N-CA 128.011 2.719 . . . . 0.0 116.435 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.89 150.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 126.612 1.965 . . . . 0.0 106.913 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 33.3 t0 -93.34 67.98 4.14 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.465 -2.022 . . . . 0.0 116.008 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CE2' ' HB1' ' A' ' 59' ' ' ALA 0.421 9.1 m-85 -76.78 -63.07 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 157.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.497 0.5 OUTLIER -57.36 -40.73 78.68 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 -164.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.28 -28.24 71.95 Favored Glycine 0 C--N 1.377 2.841 0 CA-C-N 123.875 3.034 . . . . 0.0 112.544 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -53.35 8.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.994 -1.886 . . . . 0.0 110.362 177.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.471 ' HD3' ' CD1' ' A' ' 60' ' ' TYR 0.303 2.0 ptt85 -68.63 -32.45 72.33 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.481 0.5 OUTLIER -83.32 -26.8 30.24 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 177.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.16 -35.59 5.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-N 120.375 1.443 . . . . 0.0 109.437 173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -108.42 -11.85 15.11 Favored 'General case' 0 C--N 1.383 2.055 0 CA-C-N 122.516 2.416 . . . . 0.0 113.611 -170.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.32 3.8 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 118.538 2.175 . . . . 0.0 118.538 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.93 -50.78 8.77 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 118.294 2.701 . . . . 0.0 118.294 -170.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 18.0 ttmt -143.27 -151.23 0.35 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 122.579 1.18 . . . . 0.0 109.701 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' H ' ' CG ' ' A' ' 14' ' ' LYS 0.253 16.0 mt -113.59 128.19 25.98 Favored Pre-proline 0 N--CA 1.444 -0.762 0 C-N-CA 130.39 3.476 . . . . 0.0 107.633 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.94 175.71 9.37 Favored 'Trans proline' 0 N--CA 1.457 -0.639 1 C-N-CA 125.316 4.011 . . . . 0.0 116.14 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.65 163.27 14.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.556 2.342 . . . . 0.0 111.082 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.423 1.0 OUTLIER -54.93 -30.34 58.43 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 -173.395 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -47.51 85.02 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 127.587 2.355 . . . . 0.0 113.095 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.264 0.1 OUTLIER -78.71 -41.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 121.207 -0.933 . . . . 0.0 113.392 165.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.317 0.9 OUTLIER -67.11 -51.35 55.31 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 112.616 -169.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -75.66 -11.58 60.03 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.39 -1.444 . . . . 0.0 112.749 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.68 -21.92 10.5 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 119.382 3.104 . . . . 0.0 119.382 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -109.75 129.87 55.57 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.999 -2.313 . . . . 0.0 110.557 -174.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.34 -10.11 7.64 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 127.885 2.474 . . . . 0.0 115.153 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -41.22 46.24 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.942 3.697 . . . . 0.0 110.263 168.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.87 -40.02 4.91 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 124.584 1.154 . . . . 0.0 112.249 166.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -18.06 1.45 Allowed 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 120.208 3.41 . . . . 0.0 120.208 -172.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -17.2 64.72 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 129.027 2.931 . . . . 0.0 114.157 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' A' ' 3' ' ' ASP . 3.3 m-30 -112.09 -59.11 2.04 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -169.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG22 ' CE2' ' A' ' 36' ' ' PHE . 2.9 t -156.51 142.27 12.78 Favored Pre-proline 0 CA--C 1.48 -1.719 1 N-CA-C 98.718 -4.549 . . . . 0.0 98.718 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.12 -38.01 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 CA-C-O 114.751 -2.27 . . . . 0.0 117.637 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.827 0.3 OUTLIER 179.23 -176.1 0.25 Allowed 'General case' 0 C--N 1.363 1.163 0 CA-C-N 122.877 2.581 . . . . 0.0 111.228 177.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 7.7 m-85 -43.93 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.378 1.832 1 C-N-CA 132.909 4.484 . . . . 0.0 118.664 -175.387 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -49.16 36.41 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 129.997 3.319 . . . . 0.0 113.991 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.4 t80 -74.82 -48.08 27.14 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.939 1.696 . . . . 0.0 107.17 171.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.521 0.4 OUTLIER -60.59 -29.61 69.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 179.336 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -70.75 -40.97 72.37 Favored 'General case' 0 C--N 1.383 2.022 0 O-C-N 120.224 -1.548 . . . . 0.0 113.89 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 125.804 1.642 . . . . 0.0 113.076 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -71.06 -44.32 66.0 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.734 2.014 . . . . 0.0 114.066 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -89.66 -9.79 48.26 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.593 1.542 . . . . 0.0 114.312 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.22 74.86 Favored Glycine 0 C--N 1.37 2.423 0 CA-C-O 123.112 1.396 . . . . 0.0 114.156 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.269 16.8 tp -115.36 131.59 56.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 127.532 2.333 . . . . 0.0 108.228 -167.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 p -86.16 27.62 0.9 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 126.144 1.778 . . . . 0.0 115.337 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -10.07 59.4 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.02 -16.4 63.71 Favored 'General case' 0 C--N 1.376 1.736 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.77 -31.07 25.41 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.254 1.1 p -133.88 136.55 44.41 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.822 1.192 . . . . 0.0 108.024 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -64.79 -29.83 70.81 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.986 1.314 . . . . 0.0 113.687 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 19.8 mmm180 -73.69 -39.68 64.2 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 173.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -45.92 56.68 Favored 'General case' 0 C--N 1.372 1.562 0 CA-C-N 120.399 1.454 . . . . 0.0 113.876 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.275 11.7 p -66.29 -48.49 80.89 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 O-C-N 120.544 -1.348 . . . . 0.0 111.439 174.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.407 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.531 0.0 OUTLIER -57.84 -31.24 66.46 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.564 1.546 . . . . 0.0 114.275 173.085 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -53.87 35.26 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.878 -1.139 . . . . 0.0 113.146 167.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -65.17 -34.97 79.66 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 122.059 2.209 . . . . 0.0 115.127 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -48.84 65.49 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 124.622 2.154 . . . . 0.0 113.625 173.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.174 1.0 OUTLIER -67.17 -31.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 O-C-N 118.061 -2.899 . . . . 0.0 115.503 174.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.09 -41.26 98.02 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 126.409 1.884 . . . . 0.0 112.065 161.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 4' ' ' TYR 0.346 . . -58.73 -33.42 70.21 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.62 1.568 . . . . 0.0 115.193 166.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.471 ' CD1' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -51.4 -14.73 0.32 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.08 6.45 78.87 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 128.254 2.835 . . . . 0.0 117.358 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -90.57 -52.04 5.1 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.37 3.468 . . . . 0.0 114.432 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.92 23.7 13.54 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.579 -1.326 . . . . 0.0 112.833 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.52 131.44 68.26 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 128.042 2.537 . . . . 0.0 113.124 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.78 151.48 21.83 Favored 'Trans proline' 0 CA--C 1.558 1.695 0 C-N-CA 123.963 3.109 . . . . 0.0 111.524 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.27 65.43 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 125.067 3.845 . . . . 0.0 111.962 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.33 163.7 23.67 Favored Pre-proline 0 C--N 1.353 0.757 0 C-N-CA 127.011 2.124 . . . . 0.0 107.308 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -83.16 -178.86 4.01 Favored 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 124.776 3.65 . . . . 0.0 111.248 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -61.32 120.11 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 125.147 3.898 . . . . 0.0 115.864 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.22 155.71 77.22 Favored Pre-proline 0 C--N 1.357 0.92 0 C-N-CA 126.504 1.922 . . . . 0.0 109.975 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.27 168.95 19.58 Favored 'Trans proline' 0 C--N 1.365 1.416 1 C-N-CA 125.609 4.206 . . . . 0.0 113.049 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -81.95 155.11 17.47 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.177 3.252 . . . . 0.0 115.164 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.5 tp -136.76 150.75 48.56 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.518 2.727 . . . . 0.0 104.563 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 t -141.34 -170.49 3.09 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.7 mt -94.79 161.95 13.96 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 126.745 2.018 . . . . 0.0 113.03 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.5 m -122.17 31.35 6.21 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.956 2.102 . . . . 0.0 107.973 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -100.67 84.26 2.71 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.195 1.798 . . . . 0.0 108.989 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.255 47.6 mt 98.64 -24.37 0.03 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 130.054 3.341 . . . . 0.0 110.616 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -88.07 11.12 16.92 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.733 2.413 . . . . 0.0 114.686 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--N 1.362 1.113 0 O-C-N 120.115 -1.616 . . . . 0.0 111.184 179.691 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.5 -13.05 83.63 Favored Glycine 0 C--N 1.367 2.256 0 C-N-CA 125.135 1.35 . . . . 0.0 114.289 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -122.7 134.29 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 27.0 t0 -80.67 69.26 7.15 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB1' ' A' ' 59' ' ' ALA 0.523 0.5 OUTLIER -77.34 -65.86 0.9 Allowed 'General case' 0 C--N 1.344 0.35 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 153.946 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.378 1.0 OUTLIER -56.61 -46.86 80.68 Favored 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 -162.105 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.96 55.89 Favored Glycine 0 C--N 1.376 2.758 0 CA-C-N 122.223 2.283 . . . . 0.0 116.93 167.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 3' ' ' ASP 0.318 0.7 OUTLIER -77.1 -41.73 40.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 118.57 -2.724 . . . . 0.0 112.103 177.07 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HD3' ' CD2' ' A' ' 60' ' ' TYR 0.348 0.0 OUTLIER -69.72 -38.9 77.07 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.446 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.386 1.4 t -82.3 -30.02 30.79 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.25 -33.12 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.417 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.294 52.8 m-85 -113.93 -29.94 6.88 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 124.547 3.339 . . . . 0.0 112.506 -171.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.79 -104.07 1.26 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 118.169 2.027 . . . . 0.0 118.169 161.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -78.97 -24.85 43.59 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 119.403 3.112 . . . . 0.0 119.403 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -146.87 169.15 19.73 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.45 140.2 55.87 Favored Pre-proline 0 C--N 1.353 0.734 0 O-C-N 120.788 -1.195 . . . . 0.0 112.294 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.26 -178.76 3.23 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 124.139 3.226 . . . . 0.0 112.098 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.603 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 26.1 tt0 -84.11 155.66 22.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.098 2.159 . . . . 0.0 115.986 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -23.2 15.67 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 131.576 3.95 . . . . 0.0 120.469 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.603 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 34.5 p-80 -66.86 -43.46 83.5 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.603 1.561 . . . . 0.0 110.398 172.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pt -78.14 -49.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.463 0.9 OUTLIER -65.94 -50.08 65.67 Favored 'General case' 0 C--N 1.375 1.704 0 O-C-N 120.592 -1.318 . . . . 0.0 112.771 -169.668 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' O ' ' CE1' ' A' ' 28' ' ' HIS . 53.6 m-85 -75.52 -13.16 60.35 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.618 2.008 . . . . 0.0 112.861 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.23 -21.79 10.28 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.5 m -104.81 124.96 50.34 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 119.786 -1.821 . . . . 0.0 110.407 -172.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.96 -19.24 12.14 Favored 'Isoleucine or valine' 0 C--N 1.374 1.634 0 C-N-CA 128.283 2.633 . . . . 0.0 115.916 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.42 -38.03 27.75 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 129.363 3.065 . . . . 0.0 111.301 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.15 -39.75 5.17 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 123.945 0.898 . . . . 0.0 111.599 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 119.863 3.283 . . . . 0.0 119.863 -174.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -67.71 -14.33 62.86 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 128.538 2.735 . . . . 0.0 114.24 176.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -116.52 -61.11 1.77 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.427 2.291 . . . . 0.0 115.096 -168.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 8.4 t -158.83 142.09 10.76 Favored Pre-proline 0 CA--C 1.491 -1.322 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 82.7 Cg_endo -84.88 -37.63 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-N 124.761 2.736 . . . . 0.0 117.775 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.975 0.1 OUTLIER 179.54 -175.55 0.26 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 123.981 3.082 . . . . 0.0 111.746 175.636 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CE2' ' CH2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -43.21 -17.86 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.197 1 C-N-CA 134.545 5.138 . . . . 0.0 117.189 -177.091 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.87 -49.3 53.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.369 2.668 . . . . 0.0 113.6 172.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.18 -49.46 19.39 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 128.038 2.535 . . . . 0.0 107.015 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.8 2.2 pp -61.29 -28.3 69.09 Favored 'General case' 0 C--N 1.37 1.486 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 178.003 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -66.14 -32.99 74.77 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 123.849 3.022 . . . . 0.0 113.809 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -69.23 -48.37 62.11 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 125.395 1.478 . . . . 0.0 112.025 167.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.17 -8.69 59.46 Favored 'General case' 0 C--N 1.368 1.409 0 O-C-N 119.227 -2.171 . . . . 0.0 114.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.19 -13.81 2.53 Favored Glycine 0 C--N 1.356 1.643 0 C-N-CA 127.291 2.377 . . . . 0.0 117.279 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 157.21 32.12 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.232 1.813 . . . . 0.0 112.25 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 m -66.91 59.46 0.04 OUTLIER 'General case' 0 C--N 1.372 1.566 0 C-N-CA 129.644 3.178 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 p -72.96 -29.96 63.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 129.991 3.316 . . . . 0.0 117.335 -171.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 5.8 0.97 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.845 2.858 . . . . 0.0 118.062 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -61.46 -44.72 96.6 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 128.756 2.822 . . . . 0.0 115.633 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.7 m -148.51 139.69 23.25 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.894 -1.753 . . . . 0.0 106.415 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -54.04 -46.49 71.92 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 127.49 2.316 . . . . 0.0 112.966 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -64.93 -33.65 76.54 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.581 1.952 . . . . 0.0 115.041 174.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -72.68 -46.67 52.65 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.051 1.74 . . . . 0.0 113.886 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.86 -45.92 86.43 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 O-C-N 120.702 -1.249 . . . . 0.0 111.814 171.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.522 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -59.61 -33.97 72.17 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 174.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -67.13 -45.34 77.43 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.138 1.775 . . . . 0.0 113.513 167.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.28 -42.9 99.74 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-O 124.919 2.295 . . . . 0.0 112.062 173.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE2' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.64 -43.95 97.51 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 112.793 -2.003 . . . . 0.0 114.054 171.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 60' ' ' TYR 1.111 32.7 m -65.38 -31.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 129.273 3.029 . . . . 0.0 116.334 169.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.57 -38.34 90.66 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.009 1.724 . . . . 0.0 111.218 163.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 4' ' ' TYR 0.334 . . -62.37 -44.06 97.34 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.186 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' A' ' 8' ' ' ARG . 29.5 t80 -51.27 -14.2 0.25 Allowed 'General case' 0 CA--C 1.559 1.295 1 C-N-CA 133.197 4.599 . . . . 0.0 115.236 -166.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.12 3.97 82.72 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 119.552 -1.967 . . . . 0.0 116.833 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -97.39 -52.44 3.8 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.541 2.671 . . . . 0.0 115.965 -178.041 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.76 29.97 1.1 Allowed 'General case' 0 N--CA 1.483 1.18 0 O-C-N 118.594 -2.566 . . . . 0.0 113.726 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . 0.27 10.6 tt -95.48 97.9 3.19 Favored Pre-proline 0 CA--C 1.558 1.259 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -89.67 162.53 5.24 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 124.036 3.157 . . . . 0.0 111.677 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -84.35 55.54 4.58 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.308 3.338 . . . . 0.0 112.824 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.06 159.04 2.83 Favored Pre-proline 0 C--N 1.356 0.877 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.17 112.92 1.18 Allowed 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 123.882 3.055 . . . . 0.0 113.174 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -87.06 42.81 0.88 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 124.374 3.382 . . . . 0.0 113.016 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.46 164.56 2.56 Favored Pre-proline 0 C--N 1.356 0.86 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -94.82 93.8 0.11 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.258 3.305 . . . . 0.0 112.114 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.89 160.93 42.47 Favored 'Trans proline' 0 C--N 1.363 1.294 1 C-N-CA 125.637 4.225 . . . . 0.0 115.452 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.22 137.63 32.15 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.561 1.544 . . . . 0.0 111.262 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.1 t -128.77 59.49 1.55 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 125.012 1.325 . . . . 0.0 112.542 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.381 23.4 tp 111.08 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.447 2.699 . . . . 0.0 111.3 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t 60.89 -124.95 0.94 Allowed 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.639 -1.913 . . . . 0.0 115.489 168.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -129.82 24.28 5.35 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.839 2.056 . . . . 0.0 106.898 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -172.73 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 106.101 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -158.73 -48.46 0.06 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.755 0.788 . . . . 0.0 110.202 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.35 0.626 0 O-C-N 120.028 -1.67 . . . . 0.0 110.096 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -77.6 -14.83 82.03 Favored Glycine 0 C--N 1.371 2.508 0 C-N-CA 125.062 1.315 . . . . 0.0 115.48 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.21 148.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 175.033 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.65 64.24 7.86 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -172.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.709 0.3 OUTLIER -78.74 -69.48 0.56 Allowed 'General case' 0 CA--C 1.513 -0.468 1 N-CA-C 122.193 4.145 . . . . 0.0 122.193 161.73 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.309 0.4 OUTLIER -56.95 -47.48 80.6 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 120.785 3.624 . . . . 0.0 120.785 -158.599 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.459 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -63.12 -28.53 72.3 Favored Glycine 0 C--N 1.371 2.511 0 C-N-CA 129.343 3.354 . . . . 0.0 112.383 166.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -75.39 -39.08 59.51 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 117.152 -3.558 . . . . 0.0 111.063 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.449 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.323 0.0 OUTLIER -69.29 -42.67 75.17 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.755 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.47 1.0 OUTLIER -82.31 -18.48 42.1 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -101.66 -36.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 125.72 1.608 . . . . 0.0 111.619 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -109.46 -27.99 9.16 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-N 123.721 2.964 . . . . 0.0 113.427 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.02 -96.78 1.5 Allowed Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.619 1.104 . . . . 0.0 115.345 172.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -76.4 -35.51 58.55 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 -171.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -146.52 166.39 26.58 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mp -78.85 149.3 73.78 Favored Pre-proline 0 C--N 1.359 0.984 0 C-N-CA 125.609 1.564 . . . . 0.0 112.247 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.51 177.26 9.04 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.131 3.221 . . . . 0.0 115.284 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 18.2 mt-10 -85.64 158.79 20.0 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 128.267 2.627 . . . . 0.0 110.095 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 p -57.39 -23.3 48.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -60.33 -47.14 87.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 126.56 1.944 . . . . 0.0 112.842 174.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -78.6 -41.58 25.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 O-C-N 121.097 -1.002 . . . . 0.0 112.958 164.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.442 1.2 t80 -71.33 -46.14 61.31 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -168.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 17.7 m-85 -75.68 -11.31 59.98 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 120.346 1.43 . . . . 0.0 112.402 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.0 10.51 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 m -112.04 130.04 56.01 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.376 -2.078 . . . . 0.0 112.642 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -63.62 -3.24 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 1 C-N-CA 134.056 4.942 . . . . 0.0 113.268 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.03 78.7 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.133 2.173 . . . . 0.0 108.743 167.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.19 -34.21 6.44 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.266 3.027 . . . . 0.0 117.754 -177.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -70.62 -2.88 15.73 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 128.846 2.858 . . . . 0.0 116.387 -170.051 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 22.4 m-85 -111.99 -49.71 2.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 121.549 0.69 . . . . 0.0 110.656 171.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -155.5 154.74 28.78 Favored Pre-proline 0 CA--C 1.483 -1.617 0 N-CA-C 100.303 -3.962 . . . . 0.0 100.303 176.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.5 -38.9 0.21 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 N-CA-C 117.322 2.008 . . . . 0.0 117.322 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.737 0.3 OUTLIER 178.81 -175.42 0.2 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.968 2.507 . . . . 0.0 111.625 -178.857 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.6 m-85 -43.96 -20.28 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.572 4.349 . . . . 0.0 118.455 -179.741 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.41 51.98 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 127.62 2.368 . . . . 0.0 113.95 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 8.5 t80 -75.54 -50.42 15.69 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.351 1.46 . . . . 0.0 107.12 168.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.555 0.6 OUTLIER -60.5 -36.62 78.77 Favored 'General case' 0 C--N 1.376 1.76 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -178.97 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -65.36 -34.1 77.52 Favored 'General case' 0 C--N 1.368 1.407 0 CA-C-N 124.93 3.513 . . . . 0.0 115.514 174.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -69.49 -43.5 73.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.523 1.929 . . . . 0.0 114.34 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -86.38 -20.7 27.86 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -82.71 -6.56 59.45 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 119.737 -1.852 . . . . 0.0 113.972 -178.076 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.71 -13.27 3.14 Favored Glycine 0 C--N 1.358 1.791 0 C-N-CA 127.309 2.385 . . . . 0.0 116.717 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.294 0.9 OUTLIER -129.72 151.09 50.69 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m -87.31 59.49 5.57 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.637 1.975 . . . . 0.0 112.042 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.456 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 p -72.96 -10.04 59.38 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 129.87 3.268 . . . . 0.0 110.819 171.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 5.64 1.22 Allowed 'General case' 0 C--N 1.357 0.915 1 C-N-CA 132.142 4.177 . . . . 0.0 118.309 -169.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -72.52 -35.72 68.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.546 1.938 . . . . 0.0 113.369 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -139.35 145.15 38.67 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 124.784 1.234 . . . . 0.0 109.577 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -23.2 65.97 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 125.785 1.634 . . . . 0.0 112.028 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.1 mpt_? -73.3 -45.84 53.18 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.536 2.734 . . . . 0.0 113.396 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -72.12 -46.64 55.82 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.943 2.097 . . . . 0.0 113.856 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.283 14.6 p -66.38 -43.77 91.11 Favored 'Isoleucine or valine' 0 C--N 1.383 2.042 0 O-C-N 120.747 -1.221 . . . . 0.0 111.874 177.133 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.433 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.363 0.0 OUTLIER -63.27 -33.65 75.96 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 173.927 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.77 -43.82 83.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.028 1.731 . . . . 0.0 114.358 168.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -65.51 -39.4 91.82 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 124.592 2.139 . . . . 0.0 111.685 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -50.48 73.55 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 112.681 -2.054 . . . . 0.0 113.621 169.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 60' ' ' TYR 1.179 33.7 m -61.49 -31.75 51.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 C-N-CA 128.851 2.86 . . . . 0.0 116.741 171.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.42 -42.33 98.72 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.737 2.015 . . . . 0.0 111.819 163.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.332 . . -61.25 -40.22 93.26 Favored 'General case' 0 C--N 1.384 2.071 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CD1' ' HD3' ' A' ' 8' ' ' ARG . 17.5 t80 -52.59 -14.74 0.55 Allowed 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 130.762 3.625 . . . . 0.0 115.868 -171.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.05 6.04 63.79 Favored Glycine 0 C--N 1.351 1.368 0 C-N-CA 126.71 2.1 . . . . 0.0 115.813 168.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -99.16 -30.6 12.2 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 127.219 2.208 . . . . 0.0 116.52 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -113.15 21.62 15.14 Favored 'General case' 0 C--N 1.365 1.26 0 O-C-N 119.615 -1.928 . . . . 0.0 111.442 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tt -95.09 126.15 47.71 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 124.88 1.272 . . . . 0.0 111.023 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.5 125.51 5.68 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.375 2.717 . . . . 0.0 110.081 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.76 60.06 7.53 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.608 3.539 . . . . 0.0 112.336 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.85 168.74 7.55 Favored Pre-proline 0 C--N 1.355 0.842 0 C-N-CA 126.764 2.026 . . . . 0.0 105.74 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -80.03 5.76 5.76 Favored 'Trans proline' 0 CA--C 1.561 1.871 0 CA-C-O 111.661 -3.558 . . . . 0.0 119.263 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -86.93 52.13 2.53 Favored 'Trans proline' 0 C--N 1.372 1.785 1 CA-C-N 133.145 5.73 . . . . 0.0 112.908 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.16 42.68 0.74 Allowed Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.1 -1.905 . . . . 0.0 114.874 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -86.3 172.52 7.11 Favored 'Trans proline' 0 CA--C 1.553 1.43 0 CA-C-N 126.358 3.307 . . . . 0.0 111.891 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.34 150.07 17.19 Favored 'Trans proline' 0 CA--C 1.552 1.424 0 C-N-CA 124.239 3.293 . . . . 0.0 112.349 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.7 121.78 45.76 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.44 1.496 . . . . 0.0 107.525 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.0 m -162.81 -52.91 0.04 OUTLIER 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.774 -1.829 . . . . 0.0 107.963 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.26 75.27 6.13 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 122.714 1.245 . . . . 0.0 111.577 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -76.96 55.18 1.08 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.359 2.664 . . . . 0.0 113.452 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.91 -53.48 0.1 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.738 2.815 . . . . 0.0 104.506 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.09 -44.5 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.432 2.693 . . . . 0.0 112.673 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -97.11 -40.34 8.87 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 128.012 2.525 . . . . 0.0 114.559 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 C--N 1.361 1.098 0 O-C-N 120.973 -1.079 . . . . 0.0 113.458 -175.052 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.76 -58.01 0.14 Allowed Glycine 0 C--N 1.365 2.193 0 C-N-CA 129.262 3.315 . . . . 0.0 118.241 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.456 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 6.9 mt -118.33 137.52 52.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 127.55 2.34 . . . . 0.0 105.373 177.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' CG ' HD12 ' A' ' 7' ' ' LEU . 36.3 t0 -81.7 68.14 7.95 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -172.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 59' ' ' ALA 0.456 1.3 m-85 -76.63 -66.42 0.81 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 130.588 3.555 . . . . 0.0 119.446 156.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.4 1.6 t -56.85 -41.52 78.05 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.985 3.328 . . . . 0.0 119.985 -161.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.57 -18.98 74.29 Favored Glycine 0 C--N 1.373 2.605 0 O-C-N 118.047 -2.908 . . . . 0.0 112.529 169.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 3' ' ' ASP 0.345 2.1 mp -77.99 -49.53 13.89 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 116.402 -3.999 . . . . 0.0 113.093 176.084 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HD3' ' CG ' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -69.52 -36.86 76.82 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 170.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.557 0.4 OUTLIER -83.98 -25.37 30.06 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.78 -33.04 3.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 CA-C-N 120.192 1.36 . . . . 0.0 111.022 173.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.19 -30.6 5.58 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 122.944 2.611 . . . . 0.0 113.864 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.73 -122.42 5.57 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.53 -25.82 68.15 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 -169.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -143.93 162.13 36.94 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 103.25 -2.87 . . . . 0.0 103.25 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 56' ' ' PHE . 4.1 mt -76.26 146.4 78.02 Favored Pre-proline 0 C--N 1.359 1.015 0 C-N-CA 125.805 1.642 . . . . 0.0 111.242 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.77 -178.2 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 1 C-N-CA 126.668 4.912 . . . . 0.0 118.077 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -86.32 154.25 21.37 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 129.12 2.968 . . . . 0.0 111.46 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.255 0.7 OUTLIER -62.04 -23.9 66.74 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 120.2 3.407 . . . . 0.0 120.2 -174.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -46.41 88.37 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 125.882 1.673 . . . . 0.0 111.2 172.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.286 0.1 OUTLIER -77.89 -45.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 167.474 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.321 1.0 OUTLIER -68.57 -50.0 55.14 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 121.672 2.033 . . . . 0.0 111.28 -170.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 0.2 OUTLIER -73.65 -17.75 61.11 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 120.874 -1.141 . . . . 0.0 113.584 177.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.47 -22.11 9.99 Favored 'General case' 0 C--N 1.382 2.011 0 N-CA-C 120.319 3.451 . . . . 0.0 120.319 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.7 m -103.77 127.94 51.2 Favored 'General case' 0 C--N 1.366 1.325 0 CA-C-N 122.104 2.229 . . . . 0.0 112.473 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 t -56.08 -20.93 10.39 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 130.497 3.519 . . . . 0.0 115.712 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.34 50.89 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.901 2.48 . . . . 0.0 111.574 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.51 -40.5 4.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.8 -0.562 . . . . 0.0 111.457 166.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.57 -18.49 2.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 119.822 3.267 . . . . 0.0 119.822 -176.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -68.99 -17.07 63.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.445 2.698 . . . . 0.0 114.478 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -111.45 -59.46 1.98 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.474 2.71 . . . . 0.0 113.766 -170.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.7 m -158.87 156.99 27.91 Favored Pre-proline 0 CA--C 1.485 -1.53 0 N-CA-C 100.762 -3.792 . . . . 0.0 100.762 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -88.1 -39.03 0.06 OUTLIER 'Trans proline' 0 CA--C 1.552 1.392 0 N-CA-C 121.685 3.687 . . . . 0.0 121.685 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.906 0.1 OUTLIER 178.67 -174.82 0.18 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 124.439 3.291 . . . . 0.0 113.24 -177.145 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 13.5 m-85 -43.39 -26.29 0.19 Allowed 'General case' 0 N--CA 1.503 2.176 1 C-N-CA 132.155 4.182 . . . . 0.0 118.193 -176.176 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.66 78.59 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.622 2.769 . . . . 0.0 114.329 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 35.7 t80 -72.77 -41.3 65.21 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.007 2.523 . . . . 0.0 107.027 171.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 7.3 mt -59.84 -42.23 93.14 Favored 'General case' 0 C--N 1.373 1.597 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.01 -42.64 97.09 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -68.84 -34.84 76.15 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.747 2.419 . . . . 0.0 113.488 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -73.15 -46.16 52.53 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.534 1.934 . . . . 0.0 114.252 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.6 mt -100.82 -8.87 22.22 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 117.406 -1.718 . . . . 0.0 113.878 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.11 31.85 59.15 Favored Glycine 0 C--N 1.366 2.213 0 C-N-CA 125.642 1.591 . . . . 0.0 112.324 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -100.61 145.29 28.57 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -162.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 p -111.45 10.33 21.4 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.821 2.448 . . . . 0.0 112.521 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 m -73.36 -9.56 58.82 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 130.321 3.448 . . . . 0.0 114.185 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 4.78 1.48 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.466 4.306 . . . . 0.0 116.6 -174.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -76.93 -23.08 52.47 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.543 2.737 . . . . 0.0 112.907 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.7 m -148.46 142.55 25.97 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.427 -2.046 . . . . 0.0 108.677 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.38 -51.03 71.07 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.203 1.801 . . . . 0.0 113.175 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.302 9.2 mpt_? -61.93 -33.19 73.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.933 2.093 . . . . 0.0 115.778 174.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.75 -47.22 48.71 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.127 1.771 . . . . 0.0 114.084 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.263 2.2 p -70.08 -39.24 76.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 120.315 -1.49 . . . . 0.0 111.154 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' CH2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.05 -34.5 78.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 170.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -67.48 -44.37 78.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.944 2.097 . . . . 0.0 113.98 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -67.36 -37.63 83.53 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.888 1.804 . . . . 0.0 111.435 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB3' HD12 ' A' ' 15' ' ' LEU . 1.1 m-85 -63.4 -42.49 98.79 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 113.972 -1.467 . . . . 0.0 114.175 169.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' CG ' ' A' ' 60' ' ' TYR 1.133 31.4 m -65.95 -31.81 55.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 129.706 3.202 . . . . 0.0 115.523 172.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.51 -40.1 96.16 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.657 1.983 . . . . 0.0 111.353 162.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' CE1' ' A' ' 4' ' ' TYR 0.334 . . -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 170.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CG ' ' HD3' ' A' ' 8' ' ' ARG . 12.1 t80 -51.57 -15.08 0.39 Allowed 'General case' 0 CA--C 1.555 1.152 1 C-N-CA 133.283 4.633 . . . . 0.0 114.767 -167.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 2.33 87.16 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.469 1.985 . . . . 0.0 117.244 165.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.325 0.1 OUTLIER -95.33 -52.28 4.23 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 121.373 2.586 . . . . 0.0 116.207 -178.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.03 29.39 1.86 Allowed 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.234 -2.167 . . . . 0.0 113.318 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 tp -73.51 105.69 1.84 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 130.376 3.471 . . . . 0.0 112.148 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -93.4 167.84 2.28 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 122.877 2.385 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.324 3.349 . . . . 0.0 111.862 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.78 84.13 2.49 Favored Pre-proline 0 C--N 1.353 0.745 0 CA-C-N 119.336 0.971 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -87.62 130.82 2.79 Favored 'Trans proline' 0 CA--C 1.556 1.617 0 C-N-CA 124.004 3.136 . . . . 0.0 110.689 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.04 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.742 3.628 . . . . 0.0 113.173 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.45 -57.81 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.322 -1.799 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.42 134.1 20.16 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 124.275 3.317 . . . . 0.0 109.011 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.35 146.72 40.51 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.337 3.358 . . . . 0.0 117.73 -168.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.45 112.48 18.59 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.173 1.389 . . . . 0.0 112.956 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.438 1.8 t 71.03 26.17 3.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.438 3.095 . . . . 0.0 117.457 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.36 45.24 0.0 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 131.619 3.968 . . . . 0.0 119.39 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -155.45 -24.12 0.11 Allowed 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.886 -1.759 . . . . 0.0 112.586 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -107.11 105.55 15.61 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.131 2.172 . . . . 0.0 109.405 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.605 ' H ' ' CE1' ' A' ' 80' ' ' HIS . 1.2 tm? 97.3 -46.13 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 129.002 2.921 . . . . 0.0 105.528 -172.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.72 53.86 2.68 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.216 3.406 . . . . 0.0 110.79 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.5 m-70 . . . . . 0 C--N 1.356 0.866 0 C-N-CA 127.325 2.25 . . . . 0.0 113.844 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -96.32 2.18 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 128.898 3.142 . . . . 0.0 114.807 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.75 150.88 25.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 129.806 3.242 . . . . 0.0 103.676 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -82.96 66.36 8.54 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 119.944 -1.723 . . . . 0.0 115.498 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.658 1.6 m-85 -78.14 -65.9 0.92 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 155.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -56.12 -47.02 78.92 Favored 'General case' 0 C--N 1.381 1.978 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -163.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.03 -32.92 56.91 Favored Glycine 0 C--N 1.37 2.449 0 C-N-CA 127.198 2.333 . . . . 0.0 116.445 164.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 1.5 mp -76.09 -44.87 36.77 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.19 -2.359 . . . . 0.0 110.555 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.471 ' HG2' ' CE2' ' A' ' 60' ' ' TYR 0.357 0.0 OUTLIER -69.43 -38.47 77.86 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 171.945 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.307 0.6 OUTLIER -82.22 -28.78 31.75 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 178.365 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -93.58 -36.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 119.528 1.058 . . . . 0.0 111.741 171.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 10.0 m-85 -110.07 -30.9 7.56 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 123.868 3.031 . . . . 0.0 112.956 -171.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.47 -108.52 3.69 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 124.318 0.961 . . . . 0.0 115.483 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -37.35 78.91 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -169.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' HZ2' ' A' ' 14' ' ' LYS . 4.2 ttmp? -142.78 154.31 44.1 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CE2' ' A' ' 60' ' ' TYR 0.305 0.0 OUTLIER -92.84 150.2 39.08 Favored Pre-proline 0 N--CA 1.439 -0.988 0 C-N-CA 125.917 1.687 . . . . 0.0 109.988 177.685 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 89.2 Cg_endo -78.53 -178.37 4.59 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 125.068 3.846 . . . . 0.0 120.162 -167.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 47.1 mm-40 -88.28 152.6 21.84 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.441 3.896 . . . . 0.0 109.172 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -51.63 -23.02 3.81 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 121.125 3.75 . . . . 0.0 121.125 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 52.9 p-80 -66.31 -47.87 72.16 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.354 1.862 . . . . 0.0 112.349 176.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.3 6.8 pt -78.98 -35.05 17.27 Favored 'Isoleucine or valine' 0 C--N 1.374 1.63 0 O-C-N 120.53 -1.356 . . . . 0.0 113.29 163.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.384 0.8 OUTLIER -70.98 -51.87 23.05 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.025 -171.672 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -16.63 60.49 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 123.512 2.869 . . . . 0.0 112.695 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.46 -20.66 11.69 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 119.387 3.106 . . . . 0.0 119.387 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -96.22 134.0 39.87 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 121.735 2.061 . . . . 0.0 110.413 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 t -58.32 -30.04 39.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 C-N-CA 127.492 2.317 . . . . 0.0 115.429 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.19 -33.3 12.07 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.999 3.72 . . . . 0.0 112.595 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.72 -39.35 5.39 Favored 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 127.126 2.171 . . . . 0.0 112.313 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -53.26 -35.53 60.13 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.77 66.02 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.702 2.401 . . . . 0.0 115.876 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -96.13 -74.03 0.57 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 130.581 3.552 . . . . 0.0 114.91 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.5 m -151.78 148.03 21.08 Favored Pre-proline 0 CA--C 1.481 -1.699 1 N-CA-C 100.119 -4.03 . . . . 0.0 100.119 177.029 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.8 -37.34 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.273 0 N-CA-C 118.087 2.303 . . . . 0.0 118.087 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.826 0.3 OUTLIER -179.28 -175.13 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 CA-C-N 122.36 2.346 . . . . 0.0 113.752 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 39.4 m-85 -43.71 -23.31 0.07 Allowed 'General case' 0 C--N 1.379 1.891 1 C-N-CA 133.075 4.55 . . . . 0.0 116.913 -176.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.43 65.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 129.485 3.114 . . . . 0.0 114.813 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 18.5 t80 -74.7 -50.71 16.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.632 1.573 . . . . 0.0 107.065 172.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.422 0.4 OUTLIER -62.4 -31.25 71.9 Favored 'General case' 0 C--N 1.367 1.369 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.311 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.58 -40.69 66.41 Favored 'General case' 0 C--N 1.375 1.712 0 O-C-N 119.895 -1.753 . . . . 0.0 113.231 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.427 1.891 . . . . 0.0 113.362 172.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -74.27 -42.91 58.85 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.504 1.922 . . . . 0.0 113.69 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.1 mt -93.28 -9.06 40.35 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 118.228 -1.389 . . . . 0.0 113.817 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.37 63.94 Favored Glycine 0 C--N 1.37 2.432 0 C-N-CA 125.142 1.353 . . . . 0.0 113.175 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.36 152.01 22.08 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 p -110.49 19.69 18.49 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -9.83 59.14 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 129.677 3.191 . . . . 0.0 113.936 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 5.35 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 130.461 3.504 . . . . 0.0 116.964 -174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -76.83 -42.45 40.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 129.065 2.946 . . . . 0.0 112.658 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 p -136.03 145.47 46.08 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 124.172 0.989 . . . . 0.0 108.665 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -69.88 -20.61 63.38 Favored 'General case' 0 C--N 1.38 1.905 0 O-C-N 119.909 -1.744 . . . . 0.0 113.579 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.67 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -72.58 -43.7 63.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 129.227 3.011 . . . . 0.0 111.726 175.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.46 -45.86 57.57 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.793 2.037 . . . . 0.0 114.547 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.383 9.9 p -65.74 -46.7 88.29 Favored 'Isoleucine or valine' 0 C--N 1.395 2.568 0 O-C-N 119.756 -1.84 . . . . 0.0 110.879 173.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.448 ' CE2' HD21 ' A' ' 15' ' ' LEU 0.41 0.0 OUTLIER -61.21 -35.31 76.86 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 119.83 1.195 . . . . 0.0 113.575 175.313 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -63.23 -46.02 88.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.758 1.617 . . . . 0.0 115.145 167.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -66.5 -36.5 82.89 Favored 'General case' 0 C--N 1.375 1.714 0 CA-C-N 122.519 2.418 . . . . 0.0 113.474 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.16 61.96 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 113.547 -1.66 . . . . 0.0 114.765 173.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.059 4.5 m -63.39 -31.94 54.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 C-N-CA 127.219 2.208 . . . . 0.0 115.886 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.331 1.852 . . . . 0.0 111.797 164.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . 0.348 . . -61.52 -45.9 92.26 Favored 'General case' 0 C--N 1.386 2.171 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 168.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 8' ' ' ARG . 6.1 t80 -50.13 -14.42 0.15 Allowed 'General case' 0 CA--C 1.575 1.94 0 C-N-CA 129.518 3.127 . . . . 0.0 115.318 -166.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.67 6.04 83.27 Favored Glycine 0 C--N 1.359 1.815 0 O-C-N 119.267 -2.146 . . . . 0.0 118.014 164.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.679 ' HZ1' ' H ' ' A' ' 63' ' ' ALA 0.356 0.0 OUTLIER -94.54 -36.67 11.73 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 121.342 2.571 . . . . 0.0 116.61 -179.731 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' H ' ' HZ1' ' A' ' 62' ' ' LYS . . . -115.06 29.0 8.33 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.544 -1.348 . . . . 0.0 113.991 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 tt -106.36 95.74 12.2 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.344 1.858 . . . . 0.0 110.187 175.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -86.78 163.25 9.12 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.552 2.834 . . . . 0.0 111.797 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.92 56.92 6.2 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.684 3.59 . . . . 0.0 111.425 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.03 -42.46 0.03 OUTLIER Pre-proline 0 C--N 1.353 0.73 0 CA-C-O 115.558 -2.163 . . . . 0.0 116.529 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.79 156.17 20.8 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 CA-C-N 126.899 3.5 . . . . 0.0 113.48 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.12 2.37 4.61 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 124.766 3.644 . . . . 0.0 114.611 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.412 . . 108.29 -69.82 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.106 0 C-N-CA 129.003 2.921 . . . . 0.0 114.594 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.07 158.81 30.5 Favored 'Trans proline' 0 CA--C 1.552 1.381 0 CA-C-N 126.81 3.468 . . . . 0.0 113.018 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -82.89 161.31 16.05 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 124.909 3.739 . . . . 0.0 113.413 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.61 147.24 27.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.903 2.081 . . . . 0.0 108.822 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -64.33 -20.94 66.43 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 129.516 3.127 . . . . 0.0 116.05 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.24 -12.88 20.0 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.852 2.461 . . . . 0.0 110.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.258 10.4 m 51.83 -105.12 0.2 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 121.411 3.856 . . . . 0.0 121.411 173.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -137.59 -6.5 1.73 Allowed 'General case' 0 C--N 1.361 1.097 0 C-N-CA 124.382 1.073 . . . . 0.0 111.618 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.23 -43.86 8.61 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.639 1.576 . . . . 0.0 108.69 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -94.73 -48.91 5.85 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.507 1.923 . . . . 0.0 106.954 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.9 t60 . . . . . 0 C--N 1.358 0.977 0 C-N-CA 129.889 3.276 . . . . 0.0 116.744 172.821 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.434 -1.258 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -69.15 -21.47 75.64 Favored Glycine 0 C--N 1.366 2.24 0 C-N-CA 126.278 1.894 . . . . 0.0 116.221 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 4.2 mt -121.11 135.92 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.768 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 171.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -81.87 67.83 8.01 Favored 'General case' 0 CA--C 1.485 -1.526 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 59' ' ' ALA 0.349 2.8 m-85 -76.51 -58.28 3.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 156.128 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.367 0.3 OUTLIER -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 -162.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.68 -27.21 54.86 Favored Glycine 0 C--N 1.393 3.734 0 CA-C-N 123.378 2.808 . . . . 0.0 114.562 165.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 11' ' ' PHE . 1.8 mp -75.87 -51.4 12.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.533 -2.745 . . . . 0.0 111.283 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 60' ' ' TYR 0.269 0.2 OUTLIER -69.73 -32.84 71.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.776 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.42 1.0 OUTLIER -83.54 -31.93 26.13 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 178.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -33.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 C-N-CA 125.202 1.401 . . . . 0.0 111.723 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 2.8 m-85 -116.99 -30.73 5.61 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 123.716 2.962 . . . . 0.0 114.127 -171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.09 -127.9 7.62 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 117.63 1.812 . . . . 0.0 117.63 166.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.24 -54.58 44.07 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 119.684 3.216 . . . . 0.0 119.684 -169.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.93 175.2 5.58 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 56' ' ' PHE . 14.6 mt -85.46 143.75 39.3 Favored Pre-proline 0 C--N 1.351 0.673 0 O-C-N 120.087 -1.633 . . . . 0.0 112.357 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.35 165.3 33.06 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 125.028 3.819 . . . . 0.0 112.743 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -88.51 165.83 14.6 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.231 1.412 . . . . 0.0 112.876 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.297 5.1 p -54.26 -23.27 14.23 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 121.0 3.704 . . . . 0.0 121.0 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -60.95 -47.41 86.56 Favored 'General case' 0 C--N 1.376 1.717 0 C-N-CA 126.223 1.809 . . . . 0.0 111.869 173.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' ' CD2' ' A' ' 19' ' ' HIS 0.285 0.1 OUTLIER -79.26 -44.73 24.11 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 162.974 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.373 0.8 OUTLIER -64.92 -53.77 41.23 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 119.382 0.992 . . . . 0.0 112.757 -167.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 9.4 m-85 -71.78 -21.57 61.7 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.961 1.704 . . . . 0.0 112.653 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.48 -21.16 11.48 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 119.616 3.191 . . . . 0.0 119.616 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -103.92 126.08 50.79 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 119.693 -1.879 . . . . 0.0 110.665 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 t -54.09 -23.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 130.17 3.388 . . . . 0.0 115.035 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.49 -37.52 26.68 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 129.986 3.315 . . . . 0.0 111.237 169.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.95 -40.27 4.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.169 -0.957 . . . . 0.0 112.108 164.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 32' ' ' PRO 0.324 11.3 t-160 -56.37 -18.07 9.85 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 118.502 -2.624 . . . . 0.0 118.008 -175.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -61.27 -20.52 62.97 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.332 2.253 . . . . 0.0 115.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -108.72 -62.92 1.4 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 129.147 2.979 . . . . 0.0 113.706 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG11 ' CG ' ' A' ' 36' ' ' PHE . 43.4 t -158.8 138.86 8.81 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 129.171 2.988 . . . . 0.0 103.435 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.5 Cg_endo -83.77 -38.51 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 CA-C-N 127.818 3.828 . . . . 0.0 119.222 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.831 0.5 OUTLIER -178.98 -176.03 0.42 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 124.682 3.401 . . . . 0.0 112.8 -175.695 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 4.0 m-85 -43.64 -23.99 0.1 Allowed 'General case' 0 C--N 1.38 1.91 1 C-N-CA 132.585 4.354 . . . . 0.0 117.622 -172.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.47 72.56 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 129.276 3.031 . . . . 0.0 114.589 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CG ' HG11 ' A' ' 31' ' ' VAL . 6.8 t80 -75.0 -40.49 60.64 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.694 1.598 . . . . 0.0 106.778 169.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mt -60.4 -44.76 95.37 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 118.514 2.783 . . . . 0.0 118.514 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -72.78 -40.88 65.57 Favored 'General case' 0 C--N 1.378 1.84 0 O-C-N 120.249 -1.532 . . . . 0.0 113.915 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -68.87 -34.41 75.4 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 128.361 2.664 . . . . 0.0 113.878 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -84.68 -38.3 19.94 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 120.921 -1.112 . . . . 0.0 113.895 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.66 -8.7 34.03 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 121.866 2.121 . . . . 0.0 113.937 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.21 63.7 Favored Glycine 0 C--N 1.372 2.532 0 C-N-CA 125.369 1.461 . . . . 0.0 113.509 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -92.99 146.75 23.38 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -169.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 p -99.66 13.83 32.2 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 129.843 3.257 . . . . 0.0 110.727 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.319 1.4 m -70.0 -6.63 34.75 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 131.233 3.813 . . . . 0.0 114.47 176.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.55 4.18 1.13 Allowed 'General case' 0 C--N 1.358 0.965 1 C-N-CA 133.352 4.661 . . . . 0.0 117.399 -172.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.55 -51.23 8.47 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.264 2.225 . . . . 0.0 113.763 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.5 p -137.37 152.27 49.5 Favored 'General case' 0 C--N 1.365 1.241 0 CA-C-O 123.565 1.65 . . . . 0.0 110.694 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.0 -40.77 77.21 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 127.349 2.259 . . . . 0.0 112.882 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.316 11.9 mmm180 -70.7 -33.26 70.69 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -72.39 -46.06 56.94 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.737 1.615 . . . . 0.0 113.461 172.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.291 8.9 p -66.94 -45.76 86.52 Favored 'Isoleucine or valine' 0 C--N 1.391 2.379 0 O-C-N 119.902 -1.749 . . . . 0.0 111.736 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CH2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -58.79 -33.73 70.67 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.107 1.363 . . . . 0.0 114.405 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -67.51 -43.71 80.2 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.125 1.77 . . . . 0.0 114.19 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -63.11 -41.21 99.32 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 124.871 2.272 . . . . 0.0 111.843 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.72 -46.85 87.89 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.63 172.335 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 60' ' ' TYR 1.027 27.6 m -66.29 -31.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.346 3.058 . . . . 0.0 115.734 170.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.15 -39.18 91.74 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.946 1.698 . . . . 0.0 111.182 163.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB2' ' CE1' ' A' ' 4' ' ' TYR 0.327 . . -65.32 -41.66 93.77 Favored 'General case' 0 C--N 1.38 1.91 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 169.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CG ' HG11 ' A' ' 57' ' ' VAL . 7.6 t80 -51.95 -14.98 0.45 Allowed 'General case' 0 CA--C 1.581 2.169 0 C-N-CA 131.27 3.828 . . . . 0.0 113.761 -169.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.38 6.21 80.75 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 118.345 -2.722 . . . . 0.0 117.438 165.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -97.73 -52.1 3.86 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 127.275 2.23 . . . . 0.0 115.527 -178.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.0 29.2 1.65 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.359 -2.088 . . . . 0.0 114.142 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -101.2 92.69 2.67 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 126.084 1.754 . . . . 0.0 114.242 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 169.14 9.39 Favored 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 123.524 2.816 . . . . 0.0 111.596 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.78 62.63 7.9 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.369 3.38 . . . . 0.0 111.025 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.4 135.49 20.63 Favored Pre-proline 0 C--N 1.356 0.87 0 C-N-CA 127.455 2.302 . . . . 0.0 110.602 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -81.45 174.6 10.4 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 124.079 3.186 . . . . 0.0 112.356 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -64.62 54.82 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.213 1 C-N-CA 125.598 4.199 . . . . 0.0 117.581 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.93 -42.1 0.6 Allowed Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 129.606 3.163 . . . . 0.0 112.132 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.63 -40.75 44.12 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 C-N-CA 124.543 3.495 . . . . 0.0 117.252 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.9 161.36 27.06 Favored 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-N 127.29 3.639 . . . . 0.0 113.656 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.3 103.11 14.51 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.8 t -170.12 169.2 8.04 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 tp -149.36 109.78 4.2 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.0 m -112.68 -54.06 2.66 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 121.836 -0.54 . . . . 0.0 110.923 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -50.64 -47.53 58.44 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.1 mt -111.62 49.13 0.91 Allowed 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.754 1.622 . . . . 0.0 108.956 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -157.4 -51.26 0.07 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.124 -0.985 . . . . 0.0 110.64 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.364 1.199 0 C-N-CA 128.396 2.678 . . . . 0.0 111.393 -177.712 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -74.04 -19.21 79.8 Favored Glycine 0 C--N 1.364 2.115 0 C-N-CA 127.2 2.333 . . . . 0.0 116.253 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -123.71 149.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 172.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' HB3' ' HB ' ' A' ' 31' ' ' VAL 0.28 9.8 p-10 -88.78 63.56 6.91 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 178.252 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 59' ' ' ALA 0.699 1.9 m-85 -78.69 -67.62 0.73 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 128.146 2.578 . . . . 0.0 117.952 156.205 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -55.82 -43.77 77.25 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 129.683 3.193 . . . . 0.0 118.413 -163.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.64 -30.65 76.69 Favored Glycine 0 C--N 1.37 2.457 0 O-C-N 118.162 -2.836 . . . . 0.0 115.22 167.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 16' ' ' PRO . 2.5 mp -75.58 -41.31 54.96 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 118.697 -2.649 . . . . 0.0 109.429 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 60' ' ' TYR 0.324 0.0 OUTLIER -69.33 -41.18 77.01 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 169.316 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.5 OUTLIER -82.33 -23.33 35.16 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.57 -38.52 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.324 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -107.19 -29.53 9.29 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 124.042 3.11 . . . . 0.0 114.206 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.75 -97.27 1.42 Allowed Glycine 0 C--N 1.355 1.631 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -78.83 -33.65 45.87 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -144.14 162.58 35.94 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.93 149.19 58.91 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.987 2.115 . . . . 0.0 112.739 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HD2' HD23 ' A' ' 7' ' ' LEU . 93.2 Cg_endo -74.92 -178.94 4.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 1 C-N-CA 125.616 4.211 . . . . 0.0 116.222 175.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -94.77 164.99 12.71 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 129.036 2.935 . . . . 0.0 109.634 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.4 p -57.44 -26.39 61.12 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -47.58 82.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 126.385 1.874 . . . . 0.0 113.667 176.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -42.3 22.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 124.775 1.23 . . . . 0.0 113.248 164.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.543 3.7 t80 -70.59 -42.52 70.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -165.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.327 56.0 m-85 -75.75 -21.96 56.95 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.547 1.521 . . . . 0.0 111.332 170.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.39 -21.87 10.68 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -175.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.1 m -106.27 122.69 46.75 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.581 -1.949 . . . . 0.0 109.991 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -46.35 -29.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 130.692 3.597 . . . . 0.0 115.83 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -43.58 44.32 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 129.917 3.287 . . . . 0.0 112.84 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.3 -39.39 5.24 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 121.314 -0.866 . . . . 0.0 111.91 167.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -54.64 -18.71 4.86 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.974 2.909 . . . . 0.0 118.177 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -18.13 65.2 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 126.608 1.963 . . . . 0.0 114.732 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.07 -75.83 0.52 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.139 3.376 . . . . 0.0 115.26 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 36' ' ' PHE 0.257 41.4 t -149.3 139.69 13.57 Favored Pre-proline 0 CA--C 1.498 -1.036 1 N-CA-C 100.166 -4.013 . . . . 0.0 100.166 179.228 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 71.5 Cg_endo -82.32 -38.0 0.2 Allowed 'Trans proline' 0 N--CA 1.443 -1.46 0 CA-C-N 124.579 2.671 . . . . 0.0 117.307 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.506 0.4 OUTLIER -178.06 -177.95 0.64 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-N 124.533 3.333 . . . . 0.0 109.641 -174.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.9 m-85 -44.46 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.376 1.76 1 C-N-CA 134.06 4.944 . . . . 0.0 117.882 -174.481 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.68 39.7 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 129.505 3.122 . . . . 0.0 114.529 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CG ' HG13 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -75.5 -45.73 36.48 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.607 1.563 . . . . 0.0 106.991 170.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.587 0.5 OUTLIER -63.06 -29.55 70.9 Favored 'General case' 0 C--N 1.378 1.821 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 179.459 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -69.64 -37.53 76.81 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 122.086 2.221 . . . . 0.0 113.234 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -69.38 -35.59 75.96 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.302 1.841 . . . . 0.0 113.635 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.84 -38.22 67.18 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.174 1.789 . . . . 0.0 113.809 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.68 -9.55 53.82 Favored 'General case' 0 C--N 1.372 1.568 0 O-C-N 120.048 -1.657 . . . . 0.0 114.354 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 -13.18 2.54 Favored Glycine 0 C--N 1.359 1.813 0 C-N-CA 126.442 1.972 . . . . 0.0 116.257 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.91 142.33 43.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.456 2.302 . . . . 0.0 113.104 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -85.69 52.48 2.48 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.615 1.566 . . . . 0.0 114.91 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -73.31 -17.9 61.25 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.982 2.113 . . . . 0.0 112.286 172.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.77 -4.77 21.36 Favored 'General case' 0 C--N 1.375 1.679 0 N-CA-C 119.655 3.206 . . . . 0.0 119.655 -167.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -66.17 -17.38 64.68 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 129.915 3.286 . . . . 0.0 115.355 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -146.63 127.25 14.22 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.823 -1.798 . . . . 0.0 107.153 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.73 -36.3 80.57 Favored 'General case' 0 C--N 1.374 1.658 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 17.4 mmt180 -73.15 -34.99 66.39 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -73.36 -46.75 47.3 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-N 120.107 1.321 . . . . 0.0 114.474 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.61 -44.81 93.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 O-C-N 120.179 -1.576 . . . . 0.0 111.689 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.405 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.444 0.0 OUTLIER -61.74 -33.54 74.24 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.074 1.35 . . . . 0.0 113.149 174.408 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' HZ1' ' HZ3' ' A' ' 55' ' ' LYS . 20.8 tttm -67.16 -44.25 80.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.935 1.694 . . . . 0.0 114.597 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HZ3' ' HZ1' ' A' ' 54' ' ' LYS . 13.2 mptt -63.73 -38.77 92.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 125.494 2.569 . . . . 0.0 111.162 172.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -60.76 -52.2 66.09 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.583 170.457 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.15 34.9 m -59.65 -31.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 128.464 2.706 . . . . 0.0 116.591 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.07 -43.97 98.08 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 126.801 2.04 . . . . 0.0 111.777 162.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.494 ' HB3' ' CE1' ' A' ' 4' ' ' TYR 0.331 . . -61.86 -37.67 85.39 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 166.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE1' ' HG2' ' A' ' 8' ' ' ARG . 10.6 t80 -52.38 -14.59 0.49 Allowed 'General case' 0 CA--C 1.577 1.989 0 C-N-CA 129.203 3.001 . . . . 0.0 115.963 -171.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.24 6.15 61.41 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 127.328 2.394 . . . . 0.0 116.293 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -46.29 7.64 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.856 2.462 . . . . 0.0 114.49 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.05 29.3 6.46 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.813 -1.805 . . . . 0.0 114.645 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 tt -104.22 61.63 0.09 OUTLIER Pre-proline 0 CA--C 1.568 1.662 0 N-CA-C 119.401 3.111 . . . . 0.0 119.401 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.05 162.41 13.63 Favored 'Trans proline' 0 CA--C 1.559 1.735 0 O-C-N 114.144 -3.661 . . . . 0.0 111.49 172.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -82.53 36.83 0.64 Allowed 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 124.241 3.294 . . . . 0.0 114.909 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.13 -48.92 0.03 OUTLIER Pre-proline 0 C--N 1.354 0.804 0 CA-C-O 116.648 -1.644 . . . . 0.0 114.439 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.16 -20.99 67.84 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 124.717 3.611 . . . . 0.0 120.82 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.01 78.41 0.58 Allowed 'Trans proline' 0 C--N 1.369 1.633 1 CA-C-N 129.718 4.507 . . . . 0.0 115.867 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.34 -44.75 0.84 Allowed Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 127.8 2.44 . . . . 0.0 115.614 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.47 -38.31 95.59 Favored 'Trans proline' 0 C--N 1.371 1.744 1 C-N-CA 125.558 4.172 . . . . 0.0 117.842 171.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.42 162.37 30.92 Favored 'Trans proline' 0 CA--C 1.56 1.818 1 C-N-CA 126.838 5.025 . . . . 0.0 113.25 171.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.12 135.23 49.01 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.909 1.683 . . . . 0.0 107.523 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.1 m -3.27 101.5 0.01 OUTLIER 'General case' 0 C--N 1.366 1.313 1 C-N-CA 134.063 4.945 . . . . 0.0 121.391 177.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.6 mt -105.89 -14.25 15.26 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.127 0.971 . . . . 0.0 113.256 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 m 175.69 70.41 0.01 OUTLIER 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.755 2.022 . . . . 0.0 106.721 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 86.16 -70.17 0.02 OUTLIER 'General case' 0 C--N 1.37 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 109.595 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.07 -63.11 1.39 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 128.857 2.863 . . . . 0.0 103.984 170.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.381 0.2 OUTLIER -153.34 -19.41 0.15 Allowed 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 119.122 -2.236 . . . . 0.0 113.24 169.68 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t60 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 100.754 -3.795 . . . . 0.0 100.754 171.005 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.439 -1.01 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -75.42 -13.99 82.38 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 124.715 1.15 . . . . 0.0 115.702 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.08 133.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 125.011 1.324 . . . . 0.0 107.512 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' CG ' HD12 ' A' ' 7' ' ' LEU . 25.6 t0 -85.45 67.04 9.98 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.515 ' CE1' ' HB1' ' A' ' 59' ' ' ALA 0.58 0.4 OUTLIER -76.92 -64.78 1.05 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.751 3.22 . . . . 0.0 118.393 156.546 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.382 1.5 t -56.56 -47.4 79.57 Favored 'General case' 0 C--N 1.386 2.184 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 -164.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.73 62.7 Favored Glycine 0 C--N 1.373 2.59 0 CA-C-N 124.582 3.356 . . . . 0.0 117.313 172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 3' ' ' ASP 0.337 1.0 OUTLIER -77.06 -49.26 15.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 129.568 3.147 . . . . 0.0 110.444 178.676 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.359 1.7 ptt85 -69.64 -38.16 77.07 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 117.67 2.47 . . . . 0.0 117.67 168.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.396 0.9 OUTLIER -82.3 -25.51 33.89 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 177.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.63 -33.45 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 CA-C-N 121.12 1.782 . . . . 0.0 112.419 171.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -115.09 -30.48 6.34 Favored 'General case' 0 C--N 1.385 2.114 0 O-C-N 118.501 -2.624 . . . . 0.0 114.954 -166.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.61 -137.02 9.39 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 119.113 2.405 . . . . 0.0 119.113 168.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.49 -25.11 67.33 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -145.86 170.52 16.41 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mp -75.99 151.51 84.13 Favored Pre-proline 0 C--N 1.355 0.821 0 CA-C-N 120.024 1.284 . . . . 0.0 113.235 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -86.81 -178.27 2.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.771 3.648 . . . . 0.0 112.794 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -71.08 156.3 39.77 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 127.853 2.461 . . . . 0.0 114.925 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.353 2.0 p -61.9 -24.63 67.07 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.19 91.23 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 126.497 1.919 . . . . 0.0 111.766 174.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.275 12.7 pt -77.76 -43.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 165.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' CE2' ' OD1' ' A' ' 3' ' ' ASP 0.322 1.1 t80 -63.77 -50.17 70.07 Favored 'General case' 0 C--N 1.376 1.748 0 CA-C-N 121.548 1.976 . . . . 0.0 113.36 -176.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 4.5 m-85 -74.78 -19.22 60.29 Favored 'General case' 0 C--N 1.368 1.387 0 O-C-N 119.922 -1.736 . . . . 0.0 113.567 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.76 -21.04 11.41 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 m -100.41 124.16 45.56 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 121.623 2.01 . . . . 0.0 112.33 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -46.82 -35.07 2.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 1 C-N-CA 131.825 4.05 . . . . 0.0 114.26 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.28 -34.94 16.51 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 129.712 3.205 . . . . 0.0 112.552 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.8 -39.78 5.24 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.786 167.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . 0.292 8.2 t-160 -62.04 -17.96 59.08 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 119.69 3.219 . . . . 0.0 119.69 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -59.84 -22.28 62.04 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.9 2.48 . . . . 0.0 114.54 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -103.2 -66.43 0.94 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 131.246 3.818 . . . . 0.0 114.576 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.2 m -155.74 156.42 30.65 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 176.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -83.92 -40.44 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 N-CA-C 121.963 3.794 . . . . 0.0 121.963 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 1.002 0.3 OUTLIER 177.23 -173.62 0.11 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.697 1.999 . . . . 0.0 111.349 -175.429 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CE2' ' CH2' ' A' ' 53' ' ' TRP . 11.9 m-85 -43.4 -20.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 1 C-N-CA 132.012 4.125 . . . . 0.0 116.995 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -49.42 66.09 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 131.377 3.871 . . . . 0.0 114.117 170.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 26.3 t80 -74.94 -39.33 61.41 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 125.2 1.4 . . . . 0.0 107.73 171.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mt -60.11 -38.1 81.98 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -72.49 -38.95 68.01 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.11 -34.33 74.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.704 2.402 . . . . 0.0 112.515 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.47 -46.68 25.75 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.627 1.971 . . . . 0.0 114.825 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.6 -9.56 55.8 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-N 121.912 2.142 . . . . 0.0 114.877 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 -13.05 2.56 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 125.529 1.538 . . . . 0.0 116.613 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.253 0.4 OUTLIER -109.53 151.27 26.98 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.055 2.142 . . . . 0.0 114.238 -176.245 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.7 m -86.08 42.62 0.99 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.325 2.65 . . . . 0.0 116.139 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.2 m -73.96 -11.84 60.46 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.309 1.444 . . . . 0.0 111.214 168.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.57 1.2 Allowed 'General case' 0 C--N 1.353 0.743 1 C-N-CA 134.318 5.047 . . . . 0.0 118.213 -172.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -71.14 -40.04 71.6 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 131.017 3.727 . . . . 0.0 113.711 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.529 HG22 ' HZ1' ' A' ' 51' ' ' LYS . 1.4 t -147.98 161.53 41.16 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-O 123.179 1.466 . . . . 0.0 108.934 174.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.05 -51.1 69.04 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.99 2.516 . . . . 0.0 114.236 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.731 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -55.86 -46.07 78.34 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 130.196 3.398 . . . . 0.0 114.946 178.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HZ1' HG22 ' A' ' 48' ' ' THR . 32.9 mtmm -73.13 -46.61 50.13 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.272 1.829 . . . . 0.0 115.608 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.62 -39.07 77.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 O-C-N 120.336 -1.478 . . . . 0.0 111.838 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.463 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -65.12 -34.0 77.36 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.322 1.849 . . . . 0.0 114.158 171.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -67.69 -43.43 80.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 127.276 2.23 . . . . 0.0 113.35 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -66.66 -35.74 80.87 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 124.387 2.041 . . . . 0.0 111.355 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -42.79 98.11 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.999 169.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 1.134 34.2 m -67.16 -31.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 128.989 2.915 . . . . 0.0 116.132 171.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.97 -41.59 99.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.907 2.083 . . . . 0.0 111.377 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' HB1' ' CE1' ' A' ' 4' ' ' TYR 0.32 . . -62.81 -42.04 99.55 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 168.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -52.05 -14.74 0.44 Allowed 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 130.901 3.681 . . . . 0.0 115.785 -166.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.22 6.11 75.44 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 127.573 2.511 . . . . 0.0 116.804 168.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -94.58 -52.87 4.11 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.452 2.301 . . . . 0.0 114.76 -178.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.1 29.83 2.33 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 120.1 -1.625 . . . . 0.0 113.093 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.4 tp -84.65 144.08 42.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 127.989 2.516 . . . . 0.0 112.369 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.34 91.01 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 123.395 2.73 . . . . 0.0 110.396 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.28 2.97 8.17 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.204 3.269 . . . . 0.0 113.94 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.72 -57.19 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.736 0 CA-C-O 116.275 -1.821 . . . . 0.0 112.038 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.85 141.78 13.62 Favored 'Trans proline' 0 CA--C 1.553 1.465 0 CA-C-N 126.018 3.185 . . . . 0.0 112.197 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.41 72.69 5.39 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 125.429 4.086 . . . . 0.0 111.17 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.26 97.4 9.94 Favored Pre-proline 0 C--N 1.354 0.779 0 C-N-CA 128.677 2.791 . . . . 0.0 112.743 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -143.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.272 0 C-N-CA 124.797 3.664 . . . . 0.0 108.963 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.03 139.74 5.45 Favored 'Trans proline' 0 C--N 1.369 1.629 1 CA-C-N 129.106 4.288 . . . . 0.0 111.033 175.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.72 102.53 15.15 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 119.857 -1.777 . . . . 0.0 108.861 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 t -153.99 30.29 0.45 Allowed 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.8 mt -141.62 -85.86 0.18 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.572 1.549 . . . . 0.0 112.656 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.398 82.7 p 87.01 -46.24 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.718 2.807 . . . . 0.0 113.762 -175.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -77.58 -21.92 51.71 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.456 1.902 . . . . 0.0 114.724 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 tp -130.52 24.64 5.11 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.593 1.557 . . . . 0.0 109.054 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -151.15 38.62 0.65 Allowed 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.061 -1.649 . . . . 0.0 107.714 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.359 1.011 0 C-N-CA 125.214 1.406 . . . . 0.0 111.882 -177.125 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -71.69 -26.12 73.6 Favored Glycine 0 C--N 1.37 2.464 0 C-N-CA 126.122 1.82 . . . . 0.0 116.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -124.0 149.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 173.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.33 69.09 10.41 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.084 -1.635 . . . . 0.0 114.388 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.607 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.487 1.5 m-85 -78.07 -68.0 0.68 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 149.424 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -55.68 -46.05 77.67 Favored 'General case' 0 C--N 1.384 2.069 0 C-N-CA 129.193 2.997 . . . . 0.0 116.131 -161.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.68 -39.7 61.69 Favored Glycine 0 C--N 1.366 2.196 0 C-N-CA 126.937 2.208 . . . . 0.0 117.524 165.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -38.36 58.4 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 119.695 -2.062 . . . . 0.0 112.234 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.607 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.394 0.0 OUTLIER -69.85 -38.27 76.4 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 171.186 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.25 1.8 t -82.0 -31.96 30.8 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.17 -33.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.066 1.303 . . . . 0.0 114.117 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.298 82.1 m-85 -116.31 -30.43 5.93 Favored 'General case' 0 C--N 1.381 1.952 0 CA-C-N 124.068 3.122 . . . . 0.0 112.927 -168.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.65 -96.32 0.79 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 118.649 2.219 . . . . 0.0 118.649 157.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.34 -31.0 63.71 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 120.093 3.368 . . . . 0.0 120.093 -169.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -156.51 176.55 12.56 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -81.12 140.92 49.71 Favored Pre-proline 0 C--N 1.353 0.719 0 O-C-N 120.981 -1.075 . . . . 0.0 112.82 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.598 ' CB ' HD11 ' A' ' 20' ' ' ILE . 18.5 Cg_endo -88.24 -178.78 2.21 Favored 'Trans proline' 0 N--CA 1.441 -1.584 0 C-N-CA 122.731 2.287 . . . . 0.0 114.225 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -71.72 154.33 41.42 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 130.466 3.506 . . . . 0.0 112.011 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.257 30.8 p -66.05 -22.02 66.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 119.039 2.978 . . . . 0.0 119.039 -174.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 126.415 1.886 . . . . 0.0 111.982 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.598 HD11 ' CB ' ' A' ' 16' ' ' PRO . 16.3 pt -77.87 -42.91 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 O-C-N 121.193 -0.942 . . . . 0.0 113.24 164.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.386 0.5 OUTLIER -62.59 -49.08 76.66 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 119.512 1.051 . . . . 0.0 112.921 -175.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 29.3 m-85 -75.25 -24.34 57.62 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 119.081 -2.262 . . . . 0.0 115.165 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.28 -17.11 12.83 Favored 'General case' 0 C--N 1.374 1.637 0 N-CA-C 118.942 2.942 . . . . 0.0 118.942 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -99.63 131.11 45.83 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 120.587 1.54 . . . . 0.0 110.198 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -56.03 -32.23 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 127.347 2.259 . . . . 0.0 115.198 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -31.97 10.59 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 130.398 3.479 . . . . 0.0 113.381 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.63 -39.69 5.31 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 126.631 1.972 . . . . 0.0 112.568 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.04 -18.77 61.93 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -17.14 64.01 Favored 'General case' 0 C--N 1.373 1.613 0 O-C-N 119.521 -1.987 . . . . 0.0 114.725 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -98.43 -71.42 0.69 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 130.46 3.504 . . . . 0.0 114.717 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -157.05 144.6 13.9 Favored Pre-proline 0 CA--C 1.496 -1.102 0 N-CA-C 100.324 -3.954 . . . . 0.0 100.324 178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 38.1 Cg_endo -78.99 -36.94 0.63 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 CA-C-N 124.725 2.723 . . . . 0.0 117.682 175.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 1.078 0.3 OUTLIER -179.73 -174.51 0.29 Allowed 'General case' 0 C--N 1.35 0.597 0 CA-C-N 121.86 2.118 . . . . 0.0 112.946 -178.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.609 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 2.3 m-85 -43.27 -19.67 0.02 OUTLIER 'General case' 0 C--N 1.372 1.561 1 C-N-CA 134.029 4.932 . . . . 0.0 116.997 -175.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.13 -44.55 53.36 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 128.699 2.8 . . . . 0.0 114.377 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 16.6 t80 -74.78 -49.08 22.16 Favored 'General case' 0 C--N 1.374 1.649 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.537 1.0 OUTLIER -64.1 -35.43 80.74 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -179.648 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -72.28 -36.99 69.12 Favored 'General case' 0 C--N 1.374 1.668 0 CA-C-N 123.415 2.825 . . . . 0.0 114.261 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -69.36 -34.89 75.26 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.278 2.231 . . . . 0.0 113.17 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -87.07 -33.23 19.58 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 8.6 tp -76.15 -7.65 55.27 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.48 -13.67 3.68 Favored Glycine 0 C--N 1.352 1.452 0 C-N-CA 128.291 2.853 . . . . 0.0 116.74 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.25 143.7 48.16 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.961 1.88 . . . . 0.0 113.317 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -74.51 60.02 0.85 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.649 1.98 . . . . 0.0 114.354 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.2 p -72.7 -27.13 61.89 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 128.96 2.904 . . . . 0.0 115.366 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 -6.9 32.35 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -166.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -57.49 -25.53 59.9 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 129.725 3.21 . . . . 0.0 115.951 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.8 m -147.94 124.12 10.82 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.13 -1.606 . . . . 0.0 107.04 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.83 -41.5 82.42 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.679 1.592 . . . . 0.0 114.373 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.8 mpt_? -65.38 -40.62 93.73 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.27 2.628 . . . . 0.0 113.418 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -72.86 -46.73 51.35 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 126.085 1.754 . . . . 0.0 114.29 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 45' ' ' SER . 5.3 p -64.53 -47.67 88.2 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 O-C-N 120.377 -1.452 . . . . 0.0 111.395 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.666 ' O ' HG22 ' A' ' 57' ' ' VAL 0.255 0.0 OUTLIER -60.23 -33.55 72.43 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.513 175.028 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -66.94 -42.95 84.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.177 1.791 . . . . 0.0 114.403 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.7 -43.01 94.85 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.856 2.265 . . . . 0.0 111.295 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -63.18 -40.48 97.63 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.081 -1.872 . . . . 0.0 113.967 172.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 53' ' ' TRP 1.176 18.1 m -67.32 -31.85 54.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 130.817 3.647 . . . . 0.0 116.432 169.34 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -40.35 94.49 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.194 2.198 . . . . 0.0 110.587 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.324 . . -63.12 -41.03 99.26 Favored 'General case' 0 C--N 1.381 1.935 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 168.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.514 ' CG ' HG12 ' A' ' 57' ' ' VAL . 25.9 t80 -52.25 -14.65 0.47 Allowed 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 130.091 3.356 . . . . 0.0 115.682 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.69 5.96 64.63 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 119.411 -2.055 . . . . 0.0 115.82 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.316 0.0 OUTLIER -99.82 -30.02 12.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 127.488 2.315 . . . . 0.0 117.134 -176.702 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -119.1 29.6 7.6 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 119.596 -1.94 . . . . 0.0 112.452 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -94.85 104.66 15.28 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.35 149.3 16.88 Favored 'Trans proline' 0 CA--C 1.56 1.816 0 C-N-CA 123.673 2.916 . . . . 0.0 109.815 165.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -83.14 49.34 2.99 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 124.233 3.288 . . . . 0.0 113.629 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.5 154.68 3.88 Favored Pre-proline 0 C--N 1.357 0.901 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.18 131.57 11.96 Favored 'Trans proline' 0 CA--C 1.557 1.651 0 C-N-CA 124.572 3.515 . . . . 0.0 111.412 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.37 -114.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.378 2.719 . . . . 0.0 111.389 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 -37.91 0.38 Allowed Pre-proline 0 C--N 1.354 0.771 0 C-N-CA 128.228 2.611 . . . . 0.0 117.536 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -67.71 -31.63 32.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.791 3.66 . . . . 0.0 120.072 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.93 143.13 22.87 Favored 'Trans proline' 0 C--N 1.37 1.709 1 CA-C-N 129.73 4.511 . . . . 0.0 112.43 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tt -117.58 148.57 41.78 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.775 1.23 . . . . 0.0 110.092 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -79.57 63.98 4.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 118.519 -2.613 . . . . 0.0 112.607 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 142.09 71.21 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 1 C-N-CA 135.022 5.329 . . . . 0.0 100.626 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -90.23 5.27 47.8 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.665 2.386 . . . . 0.0 114.546 -171.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 136.34 -63.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.737 1 C-N-CA 132.184 4.194 . . . . 0.0 104.178 -171.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.0 tp -132.22 41.14 3.26 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.223 1.409 . . . . 0.0 107.248 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 83.65 167.83 0.1 Allowed 'General case' 0 C--N 1.37 1.472 0 C-N-CA 130.817 3.647 . . . . 0.0 112.833 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 1.9 p80 . . . . . 0 C--N 1.368 1.407 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.422 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 45.4 tpp . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 102.72 -103.13 2.37 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 126.711 2.1 . . . . 0.0 110.418 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.25 131.38 66.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 174.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -90.67 69.78 6.67 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 120.006 -1.684 . . . . 0.0 113.557 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 59' ' ' ALA . 9.4 m-85 -74.77 -52.12 12.31 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 128.429 2.692 . . . . 0.0 110.742 145.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.513 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.503 7.2 t -57.64 -46.96 83.52 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 -165.186 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.45 -27.29 53.6 Favored Glycine 0 C--N 1.385 3.306 0 CA-C-N 123.922 3.055 . . . . 0.0 116.68 163.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 7' ' ' LEU 0.265 0.5 OUTLIER -76.51 -46.27 27.32 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 119.394 -2.239 . . . . 0.0 111.372 176.388 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.586 HH22 ' H ' ' A' ' 63' ' ' ALA 0.33 0.0 OUTLIER -69.09 -38.24 78.85 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 171.668 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.471 0.7 OUTLIER -82.23 -23.63 35.27 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 177.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.46 -36.68 5.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 120.541 1.519 . . . . 0.0 111.237 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -117.38 -12.63 10.43 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 118.682 -2.511 . . . . 0.0 114.734 -170.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.89 -61.99 2.5 Favored Glycine 0 C--N 1.36 1.883 0 N-CA-C 119.455 2.542 . . . . 0.0 119.455 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -67.64 -54.79 16.74 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 15.6 ttmm -154.63 -142.78 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 3.9 mm? -108.95 135.78 20.11 Favored Pre-proline 0 N--CA 1.446 -0.661 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 174.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HG3' HD11 ' A' ' 20' ' ' ILE . 13.2 Cg_endo -85.98 -178.36 2.84 Favored 'Trans proline' 0 N--CA 1.454 -0.821 1 C-N-CA 125.565 4.177 . . . . 0.0 112.208 177.097 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 9.5 mp0 -67.33 152.06 46.37 Favored 'General case' 0 N--CA 1.441 -0.902 1 C-N-CA 132.347 4.259 . . . . 0.0 116.665 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -23.66 66.35 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 120.171 3.397 . . . . 0.0 120.171 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.6 -41.93 99.27 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.601 1.561 . . . . 0.0 111.092 173.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD11 ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -78.03 -53.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 C-N-CA 125.321 1.449 . . . . 0.0 114.234 166.441 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.342 1.0 OUTLIER -63.93 -49.99 70.43 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-N 119.868 1.213 . . . . 0.0 112.184 -168.721 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 1.6 m-85 -76.32 -16.03 59.85 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.79 -21.42 10.69 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 119.252 3.056 . . . . 0.0 119.252 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -109.19 138.45 45.52 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.261 -1.525 . . . . 0.0 109.289 -173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.362 8.1 m -64.54 -19.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.25 -36.81 21.4 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 128.246 2.618 . . . . 0.0 113.07 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.95 -34.6 6.38 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 126.507 1.923 . . . . 0.0 114.843 168.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 3.1 t-160 -72.11 -18.34 61.91 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -173.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -9.58 56.0 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.25 2.62 . . . . 0.0 113.287 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 0' ' ' MET . 0.2 OUTLIER -110.17 -70.64 0.8 Allowed 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 129.197 2.999 . . . . 0.0 112.669 -161.563 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m -152.81 150.3 24.12 Favored Pre-proline 0 CA--C 1.479 -1.777 1 N-CA-C 97.421 -5.029 . . . . 0.0 97.421 168.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 94.8 Cg_endo -83.95 -39.61 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 CA-C-N 125.47 2.989 . . . . 0.0 119.31 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.733 0.3 OUTLIER 178.08 -175.2 0.17 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 126.804 2.042 . . . . 0.0 110.533 -177.658 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.3 m-85 -44.29 -20.64 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.027 1 C-N-CA 132.502 4.321 . . . . 0.0 118.391 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.62 57.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 126.519 1.928 . . . . 0.0 113.02 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 15.8 t80 -75.47 -51.5 12.86 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.527 0.4 OUTLIER -65.16 -34.19 77.79 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -178.042 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -72.58 -38.42 67.9 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-N 123.804 3.002 . . . . 0.0 112.72 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -68.87 -34.89 76.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.339 2.256 . . . . 0.0 112.882 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.25 -32.89 24.21 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 124.678 1.191 . . . . 0.0 113.27 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.16 -9.7 58.35 Favored 'General case' 0 C--N 1.373 1.602 0 O-C-N 119.85 -1.782 . . . . 0.0 114.214 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.92 -13.31 2.54 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 117.398 1.719 . . . . 0.0 117.398 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.32 0.4 OUTLIER -103.87 136.36 43.68 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 126.199 1.799 . . . . 0.0 114.159 -177.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -82.39 44.55 0.89 Allowed 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.246 1.819 . . . . 0.0 115.182 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -73.61 -9.69 58.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.747 2.019 . . . . 0.0 115.639 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -169.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -40.37 -45.59 2.2 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.896 3.679 . . . . 0.0 117.748 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -126.36 137.53 53.47 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.49 -41.84 81.51 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 126.047 1.739 . . . . 0.0 112.623 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.33 88.5 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 129.472 3.109 . . . . 0.0 113.767 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -72.97 -46.86 49.96 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.751 2.02 . . . . 0.0 114.154 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 12.9 p -67.93 -42.24 85.43 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 120.401 -1.437 . . . . 0.0 112.568 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.668 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -63.91 -34.16 77.34 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 126.108 1.763 . . . . 0.0 113.896 172.31 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -65.66 -45.05 84.43 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.948 1.699 . . . . 0.0 113.426 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -66.0 -36.51 83.47 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 121.3 1.864 . . . . 0.0 112.532 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -61.82 -45.82 92.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.771 -1.558 . . . . 0.0 114.802 170.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 53' ' ' TRP 0.958 19.4 m -67.31 -32.28 56.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 129.937 3.295 . . . . 0.0 115.849 170.055 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.05 -39.94 95.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.695 1.998 . . . . 0.0 111.412 165.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.293 . . -64.42 -45.92 85.46 Favored 'General case' 0 C--N 1.379 1.879 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 170.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' HG12 ' A' ' 57' ' ' VAL . 41.1 t80 -50.09 -14.39 0.15 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 131.596 3.958 . . . . 0.0 116.656 -168.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.42 2.2 67.96 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.216 2.341 . . . . 0.0 117.221 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.253 0.2 OUTLIER -91.49 -47.82 7.22 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -177.034 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -92.49 -3.66 54.81 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.795 -1.816 . . . . 0.0 111.997 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 tp -98.09 133.3 23.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.32 1.448 . . . . 0.0 111.974 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -82.31 -86.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.562 1.886 0 CA-C-O 112.301 -3.291 . . . . 0.0 112.565 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.29 -40.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.368 1.6 1 CA-C-N 131.821 5.258 . . . . 0.0 113.164 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 177.25 168.9 0.45 Allowed Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.61 115.49 4.35 Favored 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.302 3.335 . . . . 0.0 112.482 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -122.21 4.12 0.02 OUTLIER 'Trans proline' 0 CA--C 1.542 0.924 0 CA-C-N 123.145 2.159 . . . . 0.0 113.248 -171.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.49 156.38 28.8 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 122.558 2.435 . . . . 0.0 110.381 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -85.71 170.5 8.83 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.714 3.609 . . . . 0.0 111.784 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.18 158.1 26.51 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.824 3.016 . . . . 0.0 112.828 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -83.4 108.18 16.4 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.308 1.843 . . . . 0.0 112.105 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -159.34 170.36 21.98 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.61 49.99 0.83 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.144 2.178 . . . . 0.0 111.015 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 p -71.96 53.19 0.25 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.806 2.843 . . . . 0.0 116.847 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.14 -43.14 2.86 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.878 2.071 . . . . 0.0 108.91 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.42 34.97 0.71 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.688 1.195 . . . . 0.0 108.211 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.41 -69.82 0.43 Allowed 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.054 -1.654 . . . . 0.0 108.693 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 . . . . . 0 C--N 1.352 0.703 0 C-N-CA 124.446 1.098 . . . . 0.0 111.288 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.41 -30.21 69.33 Favored Glycine 0 C--N 1.367 2.25 0 C-N-CA 126.211 1.862 . . . . 0.0 116.464 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -111.56 127.25 68.83 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 31' ' ' VAL . 39.1 t0 -79.22 71.41 5.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 117.656 2.465 . . . . 0.0 117.656 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.461 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.335 2.5 m-85 -76.35 -60.49 2.32 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.746 2.018 . . . . 0.0 115.123 150.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.508 0.3 OUTLIER -57.05 -46.43 82.43 Favored 'General case' 0 C--N 1.377 1.786 1 N-CA-C 122.85 4.389 . . . . 0.0 122.85 -161.037 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -61.57 -27.71 68.52 Favored Glycine 0 C--N 1.381 3.056 0 CA-C-N 125.267 3.667 . . . . 0.0 112.384 170.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD23 HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -75.81 -41.9 51.44 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 118.608 -2.701 . . . . 0.0 111.817 173.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.394 1.5 ptt85 -69.3 -37.44 77.79 Favored 'General case' 0 C--N 1.376 1.739 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 169.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.6 OUTLIER -82.29 -21.03 36.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.136 2.174 . . . . 0.0 115.252 178.208 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 11' ' ' PHE . 3.6 mp -101.34 -42.11 9.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.286 1.434 . . . . 0.0 110.734 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 21.0 m-85 -106.25 -30.42 9.2 Favored 'General case' 0 C--N 1.381 1.955 0 O-C-N 118.097 -2.877 . . . . 0.0 114.351 -169.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.19 -93.53 0.98 Allowed Glycine 0 C--N 1.357 1.705 0 N-CA-C 116.307 1.283 . . . . 0.0 116.307 173.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -74.17 -41.27 61.76 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 119.174 3.028 . . . . 0.0 119.174 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -144.96 161.07 40.28 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.49 153.67 37.88 Favored Pre-proline 0 N--CA 1.441 -0.904 0 C-N-CA 125.84 1.656 . . . . 0.0 112.474 -178.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 92.5 Cg_endo -74.13 -178.17 3.71 Favored 'Trans proline' 0 N--CA 1.456 -0.68 1 C-N-CA 126.817 5.012 . . . . 0.0 117.715 -174.433 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -92.46 160.91 14.85 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.594 3.157 . . . . 0.0 109.132 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.9 p -52.02 -23.33 5.02 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 121.364 3.839 . . . . 0.0 121.364 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -64.51 -47.47 78.78 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 126.809 2.043 . . . . 0.0 112.494 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.265 0.8 OUTLIER -79.39 -37.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.553 162.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.435 0.8 OUTLIER -67.15 -53.39 30.99 Favored 'General case' 0 C--N 1.38 1.912 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -167.389 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.256 55.1 m-85 -75.46 -10.3 59.33 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 121.56 1.982 . . . . 0.0 111.805 171.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.04 -22.14 10.2 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -107.98 132.39 53.56 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.097 -2.252 . . . . 0.0 110.523 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 29' ' ' LYS 0.256 2.1 t -65.91 -3.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.642 0 C-N-CA 128.498 2.719 . . . . 0.0 115.248 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.933 2.493 . . . . 0.0 109.492 167.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.94 -39.66 4.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -18.48 4.5 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 -172.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' HG12 ' A' ' 25' ' ' VAL . 4.5 ptmt -68.32 -18.75 64.58 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.381 3.072 . . . . 0.0 113.52 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -111.97 -97.88 0.42 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.948 2.099 . . . . 0.0 108.997 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' H ' ' HB2' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -118.86 148.33 44.3 Favored Pre-proline 0 CA--C 1.487 -1.459 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 175.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 94.3 Cg_endo -84.0 -37.24 0.15 Allowed 'Trans proline' 0 N--CA 1.435 -1.958 0 CA-C-O 114.984 -2.173 . . . . 0.0 117.429 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.658 0.6 OUTLIER -179.18 -176.06 0.4 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 124.829 3.468 . . . . 0.0 111.653 -175.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 2.3 m-85 -44.3 -20.63 0.03 OUTLIER 'General case' 0 C--N 1.382 2.012 1 C-N-CA 132.729 4.412 . . . . 0.0 117.195 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.79 -45.1 62.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 128.543 2.737 . . . . 0.0 114.074 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 29.7 t80 -74.7 -50.78 16.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.271 1.428 . . . . 0.0 107.339 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.426 0.4 OUTLIER -64.11 -32.22 73.7 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 -179.463 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -73.29 -42.67 62.15 Favored 'General case' 0 C--N 1.375 1.705 0 O-C-N 119.316 -2.115 . . . . 0.0 113.615 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.52 -34.04 75.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.525 2.33 . . . . 0.0 113.202 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -81.53 -39.85 24.05 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.272 1.429 . . . . 0.0 114.27 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.74 -10.15 54.3 Favored 'General case' 0 C--N 1.38 1.909 0 CA-C-N 122.293 2.315 . . . . 0.0 113.858 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 21.56 78.95 Favored Glycine 0 C--N 1.372 2.568 0 C-N-CA 125.523 1.535 . . . . 0.0 113.0 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.9 tp -102.53 148.65 25.27 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 126.511 1.924 . . . . 0.0 113.038 -167.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 m -107.52 13.14 27.1 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.411 -1.431 . . . . 0.0 112.895 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -73.2 -12.78 61.0 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.86 -0.5 7.36 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 -170.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -70.8 -26.48 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.59 2.756 . . . . 0.0 115.673 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m -133.25 125.97 30.5 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -59.28 -34.6 72.47 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 120.593 -1.317 . . . . 0.0 114.201 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.309 23.2 mmt180 -73.04 -33.23 65.57 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 125.499 1.52 . . . . 0.0 114.752 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -73.55 -46.37 47.88 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.193 1.397 . . . . 0.0 113.888 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 46' ' ' ALA 0.29 13.7 p -66.88 -46.38 85.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.232 0 O-C-N 120.549 -1.344 . . . . 0.0 111.542 174.305 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 57' ' ' VAL 0.433 0.0 OUTLIER -61.08 -33.65 73.67 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 124.432 1.093 . . . . 0.0 113.455 174.023 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -66.48 -44.43 82.66 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.889 1.677 . . . . 0.0 114.049 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.71 -33.81 75.62 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 122.044 2.202 . . . . 0.0 112.408 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.489 ' HD1' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.22 -52.07 66.31 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.095 -1.411 . . . . 0.0 114.253 169.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 53' ' ' TRP 1.075 30.4 m -59.93 -31.51 47.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 128.819 2.848 . . . . 0.0 116.252 169.209 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.46 -39.58 94.84 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 126.475 1.91 . . . . 0.0 111.835 163.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.343 . . -63.85 -42.06 97.65 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.368 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CG ' HG12 ' A' ' 57' ' ' VAL . 24.2 t80 -51.24 -14.69 0.28 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 131.422 3.889 . . . . 0.0 115.714 -166.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.8 6.06 84.01 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 126.805 2.145 . . . . 0.0 117.306 165.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -50.83 5.27 Favored 'General case' 0 C--N 1.371 1.54 0 CA-C-N 121.273 2.536 . . . . 0.0 115.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -100.11 28.34 4.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 119.7 -1.875 . . . . 0.0 113.746 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.3 tp -103.44 135.67 19.34 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.496 1.918 . . . . 0.0 109.278 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.86 148.06 15.41 Favored 'Trans proline' 0 CA--C 1.561 1.851 0 C-N-CA 123.608 2.872 . . . . 0.0 111.47 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.07 66.79 8.77 Favored 'Trans proline' 0 C--N 1.359 1.119 1 C-N-CA 125.321 4.014 . . . . 0.0 112.881 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 68' ' ' PRO . . . -175.03 -175.05 0.23 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 N-CA-C 101.506 -3.516 . . . . 0.0 101.506 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HB1' ' A' ' 67' ' ' ALA . 72.8 Cg_endo -77.88 132.26 11.69 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 127.696 3.784 . . . . 0.0 110.021 171.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.99 -29.1 23.28 Favored 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 125.023 3.815 . . . . 0.0 114.607 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 93.98 150.32 0.05 OUTLIER Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 130.052 3.341 . . . . 0.0 112.467 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.67 167.24 20.93 Favored 'Trans proline' 0 CA--C 1.553 1.463 0 C-N-CA 123.916 3.077 . . . . 0.0 110.507 172.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.22 133.81 16.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.547 2.832 . . . . 0.0 113.39 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.86 148.03 37.4 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.208 2.203 . . . . 0.0 109.123 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -148.4 30.31 0.84 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.215 1.406 . . . . 0.0 107.242 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -178.48 177.06 0.97 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.892 2.477 . . . . 0.0 104.883 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 m 62.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.363 1.185 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -84.11 -55.17 4.35 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.721 2.009 . . . . 0.0 112.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.17 -5.19 59.21 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.801 1.64 . . . . 0.0 111.738 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -113.16 10.16 18.58 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.231 2.212 . . . . 0.0 110.996 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.364 1.224 0 C-N-CA 126.413 1.885 . . . . 0.0 115.301 -175.109 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 168.04 -94.87 0.11 Allowed Glycine 0 C--N 1.362 2.026 0 CA-C-N 120.372 1.442 . . . . 0.0 112.634 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 mt -89.75 141.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 120.637 -1.507 . . . . 0.0 107.975 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.588 ' O ' HD22 ' A' ' 7' ' ' LEU . 14.5 t0 -86.1 66.23 9.47 Favored 'General case' 0 C--N 1.367 1.334 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 -173.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.579 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 2.4 m-85 -76.31 -68.6 0.57 Allowed 'General case' 0 N--CA 1.442 -0.856 1 C-N-CA 132.996 4.518 . . . . 0.0 116.734 150.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.256 58.2 m -56.51 -46.42 80.54 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 117.751 -165.526 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.59 -34.78 50.35 Favored Glycine 0 C--N 1.375 2.736 0 CA-C-N 122.208 2.276 . . . . 0.0 116.26 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 3' ' ' ASP 0.281 0.9 OUTLIER -76.31 -46.42 27.85 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 118.393 -2.828 . . . . 0.0 110.275 -178.857 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.425 2.5 ptt85 -69.56 -32.82 71.84 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 169.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.35 0.7 OUTLIER -82.35 -32.03 29.5 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 HG22 ' CE2' ' A' ' 11' ' ' PHE . 4.9 mp -95.54 -36.97 7.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 124.303 1.041 . . . . 0.0 112.3 174.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 17.0 m-85 -110.7 -30.37 7.62 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 117.899 -3.001 . . . . 0.0 113.003 -169.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.5 -94.03 0.83 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.95 -32.88 59.73 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 -168.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 27.4 ttmt -141.17 -157.65 0.79 Allowed 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -104.34 138.78 19.62 Favored Pre-proline 0 C--N 1.35 0.597 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 171.109 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 20' ' ' ILE . 9.6 Cg_endo -86.58 174.79 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.482 2.788 . . . . 0.0 110.58 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -74.14 167.91 20.62 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.302 8.7 p -61.52 -23.14 65.73 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -46.32 85.93 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.092 2.157 . . . . 0.0 111.431 172.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 16' ' ' PRO 0.284 0.1 OUTLIER -78.84 -49.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.706 1.603 . . . . 0.0 114.999 164.848 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.278 1.0 OUTLIER -64.77 -50.68 65.85 Favored 'General case' 0 C--N 1.385 2.13 0 O-C-N 120.978 -1.076 . . . . 0.0 111.926 -167.39 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 2.5 m-85 -75.98 -13.08 60.24 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 125.09 1.356 . . . . 0.0 113.533 174.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.51 -22.17 9.94 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 120.288 3.44 . . . . 0.0 120.288 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.7 m -106.68 134.81 49.26 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 119.446 -2.034 . . . . 0.0 111.007 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.14 -31.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.302 3.041 . . . . 0.0 115.178 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -35.46 15.36 Favored 'General case' 0 C--N 1.37 1.476 1 C-N-CA 132.421 4.288 . . . . 0.0 111.897 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.59 -39.64 5.09 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 111.925 167.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -58.39 -19.15 33.55 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 120.3 3.444 . . . . 0.0 120.3 -175.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -18.57 63.53 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.823 2.449 . . . . 0.0 114.433 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.34 -80.49 0.48 Allowed 'General case' 0 C--N 1.349 0.545 0 C-N-CA 129.564 3.146 . . . . 0.0 111.311 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.4 m -144.05 156.57 58.29 Favored Pre-proline 0 CA--C 1.485 -1.521 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 50.5 Cg_endo -87.66 -37.66 0.08 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.527 0 N-CA-C 120.601 3.27 . . . . 0.0 120.601 -177.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.957 0.1 OUTLIER 179.45 -174.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 124.11 3.141 . . . . 0.0 115.134 -177.093 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.546 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 43.2 m-85 -42.94 -32.42 0.64 Allowed 'General case' 0 C--N 1.382 1.99 0 C-N-CA 130.625 3.57 . . . . 0.0 115.953 -178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.18 98.09 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 129.911 3.285 . . . . 0.0 115.602 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 32.0 t80 -74.74 -46.66 35.89 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.283 2.233 . . . . 0.0 106.719 173.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.418 0.0 OUTLIER -60.47 -34.6 74.26 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 179.039 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -69.14 -40.91 77.95 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -69.19 -34.53 75.05 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.912 1.685 . . . . 0.0 113.055 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -72.44 -40.26 67.2 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.739 2.016 . . . . 0.0 114.745 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.58 -9.14 48.18 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 121.48 1.945 . . . . 0.0 114.436 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.31 -12.89 3.02 Favored Glycine 0 C--N 1.358 1.793 0 C-N-CA 125.685 1.612 . . . . 0.0 116.657 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.21 154.46 18.44 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.495 1.918 . . . . 0.0 112.195 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -75.02 61.46 1.07 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.785 1.634 . . . . 0.0 114.133 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' HG23 ' A' ' 52' ' ' VAL . 14.8 p -73.44 -34.86 65.65 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.84 5.08 1.2 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -64.21 -49.43 72.02 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.822 2.849 . . . . 0.0 113.323 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -133.49 140.01 46.99 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 122.819 1.295 . . . . 0.0 108.821 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -39.39 80.73 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.879 2.072 . . . . 0.0 112.387 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.267 11.2 mmm180 -72.51 -33.59 67.03 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.527 1.931 . . . . 0.0 115.432 174.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -72.79 -46.34 53.79 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 121.317 1.871 . . . . 0.0 113.684 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 45' ' ' SER 0.271 14.4 p -65.64 -45.61 91.72 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 O-C-N 120.331 -1.48 . . . . 0.0 113.185 175.203 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.63 -33.83 73.37 Favored 'General case' 0 C--N 1.368 1.377 0 CA-C-O 116.678 -1.63 . . . . 0.0 114.048 172.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -67.47 -42.85 82.33 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.505 1.922 . . . . 0.0 114.55 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -66.77 -40.46 88.21 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-O 124.34 2.019 . . . . 0.0 110.521 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -62.2 -41.92 98.81 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 112.928 -1.942 . . . . 0.0 113.924 168.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.197 13.4 m -66.75 -32.55 58.52 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 C-N-CA 129.771 3.228 . . . . 0.0 116.897 172.383 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -65.17 -43.38 91.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.05 2.54 . . . . 0.0 110.795 164.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.313 . . -59.73 -45.52 91.92 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 170.39 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.611 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -51.64 -15.46 0.47 Allowed 'General case' 0 CA--C 1.565 1.528 1 C-N-CA 132.58 4.352 . . . . 0.0 114.5 -169.135 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.17 5.93 84.18 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 126.755 2.121 . . . . 0.0 116.791 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.337 0.1 OUTLIER -97.94 -52.02 3.86 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.873 2.336 . . . . 0.0 115.241 -179.049 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -91.05 29.32 1.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.283 -2.136 . . . . 0.0 113.074 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.47 114.52 55.53 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 127.899 2.48 . . . . 0.0 111.175 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -79.4 158.99 25.96 Favored 'Trans proline' 0 CA--C 1.555 1.566 0 C-N-CA 123.405 2.737 . . . . 0.0 112.354 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.49 68.06 8.41 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.957 3.771 . . . . 0.0 113.181 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 88.03 77.63 0.05 OUTLIER Pre-proline 0 C--N 1.363 1.183 0 C-N-CA 129.317 3.047 . . . . 0.0 112.445 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -86.96 170.53 7.2 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.581 2.854 . . . . 0.0 112.817 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 167.2 18.35 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 123.802 3.001 . . . . 0.0 109.635 165.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.44 -50.69 86.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.71 154.36 23.48 Favored 'Trans proline' 0 C--N 1.361 1.234 0 CA-C-N 124.877 2.777 . . . . 0.0 112.134 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.02 156.45 23.37 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 124.104 3.202 . . . . 0.0 111.431 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.82 103.97 16.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.821 1.248 . . . . 0.0 110.752 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 p -99.99 -72.56 0.66 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.653 1.981 . . . . 0.0 110.345 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.38 78.06 1.55 Allowed 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.917 2.087 . . . . 0.0 109.031 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -116.41 -161.56 0.8 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.847 -1.158 . . . . 0.0 109.818 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 73.89 46.99 0.17 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 128.301 2.64 . . . . 0.0 112.121 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.269 63.4 mt 82.66 37.38 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.551 3.14 . . . . 0.0 113.249 -177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -119.21 -97.55 0.46 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.517 1.527 . . . . 0.0 112.029 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.265 88.8 m-70 . . . . . 0 C--N 1.368 1.398 0 C-N-CA 127.927 2.491 . . . . 0.0 115.915 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 82.28 -115.24 3.98 Favored Glycine 0 C--N 1.361 1.924 0 C-N-CA 129.068 3.223 . . . . 0.0 115.286 173.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 3' ' ' ASP . 2.4 mt -96.63 150.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 126.783 2.033 . . . . 0.0 106.2 172.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.675 ' O ' HD22 ' A' ' 7' ' ' LEU . 23.6 t0 -83.64 67.47 9.46 Favored 'General case' 0 CA--C 1.484 -1.587 0 O-C-N 119.261 -2.149 . . . . 0.0 116.53 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB3' ' CD2' ' A' ' 60' ' ' TYR 0.481 1.6 m-85 -77.36 -68.67 0.59 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.289 2.636 . . . . 0.0 117.504 154.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.271 3.6 m -56.8 -47.36 80.39 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 127.692 2.397 . . . . 0.0 117.152 -164.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.48 -32.07 44.94 Favored Glycine 0 C--N 1.371 2.5 0 CA-C-N 122.314 2.324 . . . . 0.0 116.984 166.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.9 mp -76.34 -51.25 12.31 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.245 2.218 . . . . 0.0 112.491 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.5 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.343 1.2 ptt85 -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 175.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.338 0.6 OUTLIER -82.66 -44.99 15.06 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.038 1.335 . . . . 0.0 112.758 176.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.96 -31.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.365 1.245 0 O-C-N 118.893 -2.379 . . . . 0.0 113.979 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 16' ' ' PRO 0.295 0.4 OUTLIER -116.73 -30.57 5.74 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 123.791 2.996 . . . . 0.0 111.898 -172.029 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.91 -105.55 1.71 Allowed Glycine 0 C--N 1.356 1.669 0 N-CA-C 118.805 2.282 . . . . 0.0 118.805 163.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.23 -55.61 26.74 Favored 'General case' 0 C--N 1.364 1.207 1 N-CA-C 123.348 4.573 . . . . 0.0 123.348 -164.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 34.4 ttmt -105.81 -138.4 0.36 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 119.593 -1.942 . . . . 0.0 106.358 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 7' ' ' LEU . 2.8 mt -117.79 137.91 24.78 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 168.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 20' ' ' ILE . 40.8 Cg_endo -83.06 167.5 14.11 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.745 2.963 . . . . 0.0 113.339 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.78 160.76 29.66 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 123.88 1.8 . . . . 0.0 114.091 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE 0.281 3.3 p -56.53 -22.55 33.76 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 120.986 3.699 . . . . 0.0 120.986 -177.168 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -62.1 -44.36 96.83 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 127.368 2.267 . . . . 0.0 111.515 174.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.549 HD11 ' CB ' ' A' ' 16' ' ' PRO . 8.0 pt -78.34 -47.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 121.514 -0.741 . . . . 0.0 112.709 160.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.367 0.8 OUTLIER -60.84 -53.2 60.28 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 124.01 0.924 . . . . 0.0 113.198 -167.099 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 16.7 m-85 -76.31 -10.32 59.31 Favored 'General case' 0 CA--C 1.562 1.439 0 O-C-N 119.81 -1.806 . . . . 0.0 113.478 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.17 -21.78 10.84 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 20' ' ' ILE . 13.2 t -98.54 154.09 18.16 Favored 'General case' 0 C--N 1.369 1.428 0 CA-C-N 121.134 1.788 . . . . 0.0 111.061 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.86 -31.02 39.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 126.816 2.046 . . . . 0.0 112.312 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.83 -30.07 9.16 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 129.597 3.159 . . . . 0.0 112.833 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.71 -39.75 5.27 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.554 2.342 . . . . 0.0 112.421 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -53.84 -34.41 59.2 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 119.341 3.089 . . . . 0.0 119.341 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -64.88 -15.17 61.61 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.291 2.636 . . . . 0.0 116.469 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -101.43 -77.97 0.54 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 128.834 2.854 . . . . 0.0 112.544 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.2 m -151.76 149.76 24.61 Favored Pre-proline 0 CA--C 1.485 -1.54 0 N-CA-C 101.301 -3.592 . . . . 0.0 101.301 174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.36 -37.41 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.278 0 N-CA-C 119.002 2.655 . . . . 0.0 119.002 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.787 0.3 OUTLIER 179.95 -175.86 0.31 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 123.161 2.71 . . . . 0.0 112.193 179.408 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.588 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 5.6 m-85 -44.11 -20.79 0.03 OUTLIER 'General case' 0 C--N 1.385 2.121 1 C-N-CA 132.045 4.138 . . . . 0.0 117.909 -176.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.94 -44.76 60.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 128.915 2.886 . . . . 0.0 113.876 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 9.0 t80 -74.96 -50.42 16.74 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.312 1.845 . . . . 0.0 107.195 171.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.552 0.5 OUTLIER -61.56 -29.59 70.11 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.047 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -66.92 -40.76 87.71 Favored 'General case' 0 C--N 1.378 1.817 0 O-C-N 119.34 -2.1 . . . . 0.0 114.116 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -34.96 74.84 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.729 2.012 . . . . 0.0 113.657 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -74.51 -36.78 63.23 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.322 1.849 . . . . 0.0 114.751 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.47 -8.76 59.77 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -13.13 2.88 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.887 1.708 . . . . 0.0 116.256 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.46 144.9 46.72 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.215 1.406 . . . . 0.0 114.028 -175.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -90.35 52.79 2.31 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.932 1.693 . . . . 0.0 114.066 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -74.16 -10.52 59.69 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.192 1.797 . . . . 0.0 110.923 167.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.01 5.8 1.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 132.448 4.299 . . . . 0.0 118.861 -172.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -75.18 -28.37 60.02 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 128.748 2.819 . . . . 0.0 113.797 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.95 146.99 47.87 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 124.773 1.229 . . . . 0.0 108.306 175.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -30.94 71.97 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.536 1.934 . . . . 0.0 112.714 175.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.7 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -73.21 -44.95 58.82 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.033 3.333 . . . . 0.0 114.445 176.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.18 -45.87 58.64 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.031 2.132 . . . . 0.0 113.008 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 56' ' ' PHE 0.291 7.8 p -68.45 -46.79 79.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 O-C-N 120.321 -1.487 . . . . 0.0 111.129 175.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.321 0.0 OUTLIER -57.28 -32.09 66.26 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 170.625 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -66.72 -51.13 59.46 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.647 1.179 . . . . 0.0 114.022 169.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -67.83 -34.9 77.63 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 121.442 1.928 . . . . 0.0 114.26 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.528 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -70.55 -45.14 66.04 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 124.759 2.219 . . . . 0.0 113.359 177.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.123 1.0 OUTLIER -67.52 -31.48 52.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.038 -2.289 . . . . 0.0 115.127 172.43 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -62.37 -38.14 88.44 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 125.816 1.646 . . . . 0.0 112.752 161.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.366 . . -57.47 -45.62 84.6 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 125.94 1.696 . . . . 0.0 115.03 168.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -49.41 -13.77 0.08 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 129.273 3.029 . . . . 0.0 116.473 -164.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.16 -8.07 87.95 Favored Glycine 0 C--N 1.356 1.643 0 O-C-N 118.797 -2.439 . . . . 0.0 117.006 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.252 0.0 OUTLIER -79.78 -34.12 40.01 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 118.769 2.877 . . . . 0.0 118.769 -176.996 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -119.41 29.13 7.79 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 119.634 -1.916 . . . . 0.0 111.75 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.13 102.96 0.59 Allowed Pre-proline 0 CA--C 1.572 1.794 0 N-CA-C 118.766 2.876 . . . . 0.0 118.766 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -110.93 175.92 0.05 OUTLIER 'Trans proline' 0 CA--C 1.555 1.545 0 C-N-CA 123.397 2.731 . . . . 0.0 110.961 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -77.16 164.15 29.68 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.913 3.075 . . . . 0.0 111.799 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.67 74.19 17.64 Favored Pre-proline 0 C--N 1.356 0.863 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 -32.03 17.48 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 CA-C-O 111.352 -3.687 . . . . 0.0 118.818 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -90.13 -178.3 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 CA-C-N 130.578 4.813 . . . . 0.0 112.714 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.8 17.37 Favored Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 128.457 2.703 . . . . 0.0 118.0 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.06 -48.72 15.02 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 125.061 3.841 . . . . 0.0 116.415 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.73 160.97 47.7 Favored 'Trans proline' 0 C--N 1.363 1.304 1 C-N-CA 125.496 4.131 . . . . 0.0 114.198 172.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 tp -103.45 125.58 50.11 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.987 2.115 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -157.46 179.11 9.56 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.11 -178.77 4.78 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.4 m -160.28 160.41 32.52 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 118.743 -2.473 . . . . 0.0 106.029 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttp 83.1 -58.33 0.15 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.671 2.389 . . . . 0.0 111.544 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.66 8.73 44.59 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 126.86 2.064 . . . . 0.0 111.09 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -144.45 -84.26 0.14 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 110.358 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--N 1.361 1.067 0 C-N-CA 124.722 1.209 . . . . 0.0 111.996 -178.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -80.95 -35.52 24.31 Favored Glycine 0 C--N 1.37 2.431 0 C-N-CA 127.629 2.538 . . . . 0.0 113.666 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.09 140.76 26.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 N-CA-C 101.606 -3.479 . . . . 0.0 101.606 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD22 ' A' ' 7' ' ' LEU 0.395 4.6 p-10 -77.98 64.35 3.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -173.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 59' ' ' ALA 0.625 0.7 OUTLIER -77.8 -64.95 1.04 Allowed 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 161.606 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -56.04 -47.01 78.68 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 119.763 3.246 . . . . 0.0 119.763 -157.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.561 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -57.06 -36.67 75.34 Favored Glycine 0 C--N 1.366 2.212 1 C-N-CA 130.967 4.127 . . . . 0.0 112.974 160.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.1 mp -75.55 -37.23 60.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 116.988 -3.654 . . . . 0.0 112.087 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.561 HH22 ' H ' ' A' ' 63' ' ' ALA . 2.0 mtt85 -69.37 -39.83 77.83 Favored 'General case' 0 C--N 1.371 1.506 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -82.34 -28.14 31.79 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -34.95 5.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.434 1.494 . . . . 0.0 111.962 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.82 -14.9 12.48 Favored 'General case' 0 C--N 1.384 2.08 0 CA-C-N 123.713 2.961 . . . . 0.0 113.206 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.0 -95.14 1.99 Allowed Glycine 0 C--N 1.36 1.902 0 C-N-CA 125.0 1.286 . . . . 0.0 115.927 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.79 -46.24 69.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 118.992 2.96 . . . . 0.0 118.992 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -142.28 171.41 14.09 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.602 -1.311 . . . . 0.0 108.064 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HB3' ' CZ2' ' A' ' 53' ' ' TRP . 28.0 mt -81.46 138.82 47.9 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 126.868 2.067 . . . . 0.0 113.626 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.17 175.04 11.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.758 2.972 . . . . 0.0 115.569 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -94.38 159.41 15.12 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 129.028 2.931 . . . . 0.0 109.749 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 p -53.93 -23.61 13.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.34 86.3 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.826 2.05 . . . . 0.0 112.353 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -42.24 23.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 113.302 164.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.528 1.6 t80 -69.48 -50.23 47.33 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -166.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.299 59.2 m-85 -76.02 -11.79 60.01 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 122.125 2.239 . . . . 0.0 111.768 170.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.85 -21.95 10.4 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 120.84 3.644 . . . . 0.0 120.84 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -111.73 130.1 55.9 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 119.328 -2.108 . . . . 0.0 109.603 -174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.427 0.9 OUTLIER -62.99 -9.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.01 71.05 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.955 2.102 . . . . 0.0 111.1 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.55 -25.8 10.27 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 171.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -70.75 -18.39 62.78 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.58 2.352 . . . . 0.0 117.114 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -65.73 -12.38 53.34 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.087 2.155 . . . . 0.0 114.452 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 10.5 m-85 -113.38 -74.81 0.61 Allowed 'General case' 0 C--N 1.365 1.27 0 CA-C-O 123.024 1.393 . . . . 0.0 110.828 177.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -139.28 148.61 57.62 Favored Pre-proline 0 CA--C 1.485 -1.526 0 N-CA-C 101.411 -3.551 . . . . 0.0 101.411 178.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 72.2 Cg_endo -83.23 -36.49 0.21 Allowed 'Trans proline' 0 N--CA 1.443 -1.478 0 N-CA-C 118.075 2.298 . . . . 0.0 118.075 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.656 0.6 OUTLIER -178.4 -176.61 0.51 Allowed 'General case' 0 C--O 1.242 0.661 0 CA-C-N 123.836 3.016 . . . . 0.0 111.453 -173.465 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.583 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 m-85 -44.3 -20.25 0.03 OUTLIER 'General case' 0 C--N 1.377 1.797 1 C-N-CA 134.979 5.312 . . . . 0.0 116.98 -175.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.39 47.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 130.353 3.461 . . . . 0.0 114.202 173.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 22.8 t80 -74.95 -50.38 16.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.429 1.891 . . . . 0.0 107.226 171.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.442 0.3 OUTLIER -61.93 -30.01 70.61 Favored 'General case' 0 C--N 1.374 1.639 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 -179.628 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -72.28 -48.19 44.37 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 122.266 2.303 . . . . 0.0 115.541 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -68.99 -34.49 75.38 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 174.177 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.41 -29.71 22.67 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -97.75 -9.0 27.38 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 122.539 2.427 . . . . 0.0 110.966 -178.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.49 31.64 62.93 Favored Glycine 0 C--N 1.373 2.587 0 C-N-CA 126.366 1.936 . . . . 0.0 112.897 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 52' ' ' VAL . 12.7 tp -94.93 131.4 40.9 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 123.21 1.481 . . . . 0.0 114.937 -168.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 p -95.88 -9.37 31.56 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.308 2.643 . . . . 0.0 111.271 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.5 m -73.94 -10.34 59.55 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.613 3.165 . . . . 0.0 111.615 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.72 4.19 2.08 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 129.833 3.253 . . . . 0.0 117.8 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -8.13 45.05 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.224 2.209 . . . . 0.0 113.727 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 m -143.59 132.26 22.49 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HA ' HG12 ' A' ' 52' ' ' VAL 0.257 0.7 OUTLIER -65.27 -33.11 75.21 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.923 -1.736 . . . . 0.0 115.585 -177.448 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -72.54 -37.24 68.33 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -72.86 -44.34 61.49 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.162 1.785 . . . . 0.0 114.75 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 49' ' ' ASN . 5.7 p -64.0 -47.89 88.43 Favored 'Isoleucine or valine' 0 C--N 1.382 2.015 0 C-N-CA 125.081 1.352 . . . . 0.0 110.677 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 57' ' ' VAL 0.338 0.0 OUTLIER -63.61 -34.25 77.41 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 125.926 1.691 . . . . 0.0 113.352 175.298 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -65.86 -44.85 84.17 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.496 1.918 . . . . 0.0 114.717 169.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -70.53 -32.42 69.87 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 122.269 2.304 . . . . 0.0 111.824 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 37' ' ' LEU . 2.2 m-85 -64.78 -48.98 72.49 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.28 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 53' ' ' TRP 1.144 28.1 m -58.82 -31.45 44.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 129.014 2.925 . . . . 0.0 115.755 168.059 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -63.56 -41.98 98.38 Favored 'General case' 0 CA--C 1.564 1.519 0 C-N-CA 126.244 1.817 . . . . 0.0 112.371 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR 0.32 . . -61.48 -39.54 91.27 Favored 'General case' 0 C--N 1.39 2.364 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 169.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' CG ' HG12 ' A' ' 57' ' ' VAL . 21.0 t80 -51.58 -13.18 0.22 Allowed 'General case' 0 CA--C 1.563 1.475 1 C-N-CA 131.741 4.017 . . . . 0.0 115.057 -172.462 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.32 5.95 80.91 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.769 2.128 . . . . 0.0 116.858 165.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.307 0.0 OUTLIER -99.95 -52.43 3.43 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 121.652 2.726 . . . . 0.0 117.47 -178.076 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -77.14 -17.51 58.55 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 119.198 -2.189 . . . . 0.0 113.283 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 tt -80.36 128.43 72.86 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 126.511 1.924 . . . . 0.0 111.633 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -81.29 154.82 18.97 Favored 'Trans proline' 0 CA--C 1.557 1.675 0 C-N-CA 124.18 3.253 . . . . 0.0 111.259 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.28 68.64 7.21 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 125.398 4.065 . . . . 0.0 112.226 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.54 -163.35 0.04 OUTLIER Pre-proline 0 C--N 1.348 0.527 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -65.85 145.57 80.85 Favored 'Trans proline' 0 CA--C 1.563 1.937 1 CA-C-N 128.465 4.059 . . . . 0.0 114.392 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -79.84 178.27 7.45 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.492 3.461 . . . . 0.0 112.907 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.77 149.16 59.44 Favored Pre-proline 0 C--N 1.359 0.988 0 C-N-CA 127.066 2.146 . . . . 0.0 112.616 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -85.21 177.23 5.33 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 124.291 3.328 . . . . 0.0 113.934 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.11 136.55 5.85 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.958 3.105 . . . . 0.0 111.828 173.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -131.69 125.85 33.09 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.266 1.426 . . . . 0.0 107.867 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.7 t -108.59 -171.96 1.96 Allowed 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.037 1.735 . . . . 0.0 108.39 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 101.08 2.97 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.198 2.999 . . . . 0.0 108.528 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -112.93 -151.73 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.094 1.358 . . . . 0.0 111.454 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 65.16 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.958 2.903 . . . . 0.0 116.863 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 78' ' ' LEU . 2.1 pt? -99.29 -14.11 19.38 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 127.701 2.4 . . . . 0.0 110.869 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -100.19 -99.34 0.24 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.498 2.319 . . . . 0.0 110.728 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--N 1.364 1.231 0 O-C-N 120.258 -1.526 . . . . 0.0 111.758 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.433 -1.323 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.98 -18.72 79.25 Favored Glycine 0 C--N 1.365 2.17 0 C-N-CA 125.569 1.557 . . . . 0.0 116.344 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.6 143.0 35.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HD22 ' A' ' 7' ' ' LEU . 6.5 p-10 -82.44 64.25 7.0 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' CE2' ' HB ' ' A' ' 2' ' ' ILE 0.689 0.1 OUTLIER -78.47 -68.5 0.64 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 159.01 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.46 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.367 38.8 p -57.0 -47.41 80.92 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -160.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -56.67 -34.36 64.38 Favored Glycine 0 C--N 1.362 2.002 0 C-N-CA 128.795 3.093 . . . . 0.0 114.909 165.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 15' ' ' LEU . 1.3 mp -75.76 -42.22 50.97 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 118.5 -2.765 . . . . 0.0 110.712 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.542 HH22 ' H ' ' A' ' 63' ' ' ALA 0.263 0.0 OUTLIER -68.77 -40.64 79.6 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 169.192 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.389 0.6 OUTLIER -82.52 -25.19 33.66 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.47 -37.75 8.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.56 0 C-N-CA 124.578 1.151 . . . . 0.0 110.11 171.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 14.7 m-85 -108.69 -26.18 10.47 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 123.774 2.988 . . . . 0.0 114.396 -171.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.72 -101.34 2.01 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 116.656 1.422 . . . . 0.0 116.656 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.67 -37.42 59.6 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 119.429 3.122 . . . . 0.0 119.429 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -143.89 162.18 36.78 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 104.505 -2.405 . . . . 0.0 104.505 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -94.35 154.16 40.37 Favored Pre-proline 0 C--N 1.355 0.813 0 C-N-CA 125.443 1.497 . . . . 0.0 110.198 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' A' ' 20' ' ' ILE . 34.5 Cg_endo -94.85 -178.15 0.53 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 124.255 3.303 . . . . 0.0 115.061 -168.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 33.1 mt-10 -71.13 164.83 24.83 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.341 2.656 . . . . 0.0 115.543 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.375 5.0 p -63.28 -29.11 70.49 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.458 3.133 . . . . 0.0 119.458 -174.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -54.08 -46.87 72.14 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.072 2.149 . . . . 0.0 113.359 175.574 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 16' ' ' PRO 0.251 0.1 OUTLIER -78.39 -48.23 22.96 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 C-N-CA 124.53 1.132 . . . . 0.0 113.068 165.52 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.417 1.3 t80 -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 7.0 m-85 -76.13 -17.3 59.64 Favored 'General case' 0 CA--C 1.563 1.452 0 O-C-N 120.255 -1.528 . . . . 0.0 113.133 172.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.81 -21.99 10.4 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 120.837 3.643 . . . . 0.0 120.837 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.0 m -112.5 126.93 55.86 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.292 -2.13 . . . . 0.0 109.419 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.415 0.6 OUTLIER -60.38 -8.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.764 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -175.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -40.99 45.77 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 129.174 2.99 . . . . 0.0 112.038 171.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -110.06 -27.61 9.1 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.568 1.947 . . . . 0.0 115.987 170.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -18.12 62.03 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.594 2.758 . . . . 0.0 116.496 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -11.84 53.47 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 127.929 2.492 . . . . 0.0 113.753 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 16.3 m-85 -110.25 -67.69 0.97 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-O 122.676 1.226 . . . . 0.0 113.637 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -146.79 155.19 48.27 Favored Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 -176.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -87.54 -38.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.555 1.566 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.723 0.2 OUTLIER 179.69 -175.74 0.28 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 124.502 3.319 . . . . 0.0 110.861 -177.774 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.7 m-85 -44.24 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.384 2.071 1 C-N-CA 132.432 4.293 . . . . 0.0 118.375 -179.301 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -42.97 56.77 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.613 3.165 . . . . 0.0 113.676 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 25.1 t80 -74.92 -50.75 15.76 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.842 1.657 . . . . 0.0 106.971 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.488 0.3 OUTLIER -61.64 -30.21 70.56 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.35 -41.52 73.05 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 122.13 2.241 . . . . 0.0 114.016 172.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -69.16 -35.04 75.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.228 1.411 . . . . 0.0 114.194 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -80.59 -31.52 36.73 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.311 1.445 . . . . 0.0 114.744 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.4 mt -84.27 -8.96 58.87 Favored 'General case' 0 C--N 1.378 1.842 0 O-C-N 118.986 -2.321 . . . . 0.0 113.299 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.37 -12.63 3.25 Favored Glycine 0 C--N 1.36 1.905 0 C-N-CA 125.82 1.676 . . . . 0.0 117.168 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.295 0.5 OUTLIER -105.18 144.6 31.76 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 t -68.44 51.33 0.07 Allowed 'General case' 0 C--N 1.374 1.639 0 C-N-CA 129.955 3.302 . . . . 0.0 114.917 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 52' ' ' VAL . 2.5 p -73.25 -31.99 64.44 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 131.602 3.961 . . . . 0.0 116.044 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 6.46 0.89 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.876 2.871 . . . . 0.0 118.116 -171.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -65.3 -49.38 69.7 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 128.474 2.709 . . . . 0.0 114.596 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -138.11 145.24 41.4 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.441 1.497 . . . . 0.0 108.392 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -62.79 -29.55 70.79 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.635 1.574 . . . . 0.0 112.477 177.433 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.567 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 2.4 mpt_? -71.83 -40.51 69.02 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 113.217 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -72.55 -47.11 50.91 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.774 1.629 . . . . 0.0 113.489 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 45' ' ' SER 0.27 7.4 p -66.54 -47.21 84.3 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 O-C-N 120.858 -1.151 . . . . 0.0 111.522 176.255 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.318 0.0 OUTLIER -61.63 -36.16 79.97 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.595 174.345 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -61.73 -43.84 98.07 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.906 2.139 . . . . 0.0 115.267 167.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.13 -40.58 94.65 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 124.043 1.877 . . . . 0.0 112.922 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -61.0 -52.01 66.81 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.273 1.829 . . . . 0.0 114.837 173.564 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.012 3.0 m -63.7 -31.88 54.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 128.192 2.597 . . . . 0.0 114.791 170.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.55 -36.98 84.37 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.99 1.716 . . . . 0.0 112.589 164.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.345 . . -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.62 ' CG ' HG12 ' A' ' 57' ' ' VAL . 40.0 t80 -49.63 -12.87 0.07 Allowed 'General case' 0 CA--C 1.561 1.382 1 C-N-CA 131.804 4.042 . . . . 0.0 116.508 -161.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.41 -14.88 82.03 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 118.583 -2.573 . . . . 0.0 116.124 163.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -73.8 -32.43 63.74 Favored 'General case' 0 C--N 1.37 1.475 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -175.345 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -111.22 29.14 8.07 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.629 2.013 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 tt -132.34 87.75 41.91 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 120.27 -1.518 . . . . 0.0 114.018 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -67.75 -42.72 6.26 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 C-N-CA 124.609 3.539 . . . . 0.0 118.372 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -94.82 -126.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 127.346 3.659 . . . . 0.0 111.396 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.14 126.3 36.88 Favored Pre-proline 0 C--N 1.356 0.853 0 C-N-CA 126.222 1.809 . . . . 0.0 109.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.78 -44.18 43.14 Favored 'Trans proline' 0 C--N 1.359 1.118 1 C-N-CA 125.512 4.141 . . . . 0.0 121.325 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.58 95.06 1.06 Allowed 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.553 4.09 . . . . 0.0 113.058 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.93 141.46 16.02 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 125.344 1.457 . . . . 0.0 108.728 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -85.18 163.63 11.4 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 123.893 3.062 . . . . 0.0 112.774 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.24 134.77 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.515 3.476 . . . . 0.0 111.803 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -130.46 138.1 50.12 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.968 1.707 . . . . 0.0 108.089 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.257 2.1 m 86.55 40.68 0.02 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 128.259 2.624 . . . . 0.0 112.376 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mp -106.83 -64.9 1.13 Allowed 'General case' 0 C--N 1.36 1.053 0 O-C-N 120.406 -1.434 . . . . 0.0 110.427 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.3 t -104.39 27.3 7.97 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.983 2.113 . . . . 0.0 111.142 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 tttp 91.01 79.45 0.01 OUTLIER 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.812 3.245 . . . . 0.0 109.145 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.284 2.6 mm? 76.56 -42.67 0.44 Allowed 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 111.943 -173.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.311 28.8 tt0 -72.96 178.72 4.12 Favored 'General case' 0 CA--C 1.538 0.486 1 C-N-CA 137.392 6.277 . . . . 0.0 113.801 174.176 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 . . . . . 0 C--N 1.365 1.257 0 C-N-CA 126.102 1.761 . . . . 0.0 109.547 168.074 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 123.553 1.644 . . . . 0.0 107.578 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.1 -97.03 1.94 Allowed Glycine 0 C--N 1.359 1.854 0 C-N-CA 126.905 2.193 . . . . 0.0 110.925 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.62 133.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 120.751 -1.441 . . . . 0.0 108.085 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -91.91 70.59 5.56 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 120.257 -1.527 . . . . 0.0 114.86 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.0 m-85 -74.93 -48.74 23.01 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-O 125.404 2.525 . . . . 0.0 112.116 147.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.556 1.5 t -62.32 -46.37 89.03 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.411 3.484 . . . . 0.0 120.052 -163.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.62 -25.22 50.24 Favored Glycine 0 C--N 1.386 3.322 0 CA-C-N 124.318 3.235 . . . . 0.0 116.081 163.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.256 0.4 OUTLIER -77.07 -51.98 10.12 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 119.264 -2.316 . . . . 0.0 113.593 174.791 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.675 HH22 ' H ' ' A' ' 63' ' ' ALA 0.308 0.0 OUTLIER -66.88 -31.84 72.7 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 173.449 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.509 0.6 OUTLIER -83.24 -25.43 31.7 Favored 'General case' 0 C--N 1.35 0.616 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 175.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.12 -34.66 3.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-N 120.243 1.383 . . . . 0.0 110.973 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -114.76 -21.0 10.4 Favored 'General case' 0 C--N 1.372 1.562 0 O-C-N 118.631 -2.543 . . . . 0.0 113.211 -172.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -66.65 2.39 Favored Glycine 0 C--N 1.36 1.882 0 N-CA-C 117.901 1.92 . . . . 0.0 117.901 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.22 -43.78 95.74 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.299 3.04 . . . . 0.0 118.512 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 15.7 ttmt -159.67 -165.18 1.48 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 17.7 mt -100.09 119.36 59.56 Favored Pre-proline 0 N--CA 1.426 -1.65 0 C-N-CA 129.323 3.049 . . . . 0.0 107.449 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' CB ' HD11 ' A' ' 20' ' ' ILE . 97.8 Cg_endo -74.4 -179.0 4.36 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 125.865 4.377 . . . . 0.0 116.245 178.433 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -79.63 153.57 29.3 Favored 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 130.205 3.402 . . . . 0.0 116.906 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -51.84 -24.56 6.29 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' A' ' 20' ' ' ILE . 35.1 p80 -67.73 -46.55 71.81 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 126.321 1.848 . . . . 0.0 111.292 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 16' ' ' PRO . 3.3 pt -77.88 -40.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 O-C-N 121.05 -1.031 . . . . 0.0 113.184 167.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.514 ' CD1' ' HB1' ' A' ' 27' ' ' ALA 0.376 0.9 OUTLIER -70.88 -50.92 29.89 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 123.916 0.886 . . . . 0.0 109.716 -169.343 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 33' ' ' SER . 11.2 m-85 -76.38 -11.75 59.95 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 121.843 2.111 . . . . 0.0 113.971 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.95 -21.15 10.75 Favored 'General case' 0 C--N 1.383 2.061 0 N-CA-C 119.962 3.319 . . . . 0.0 119.962 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -102.95 138.16 40.2 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.682 -1.887 . . . . 0.0 109.262 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 t -59.12 -28.48 39.08 Favored 'Isoleucine or valine' 0 C--N 1.375 1.71 0 C-N-CA 126.794 2.038 . . . . 0.0 115.583 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.13 14.43 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 130.931 3.692 . . . . 0.0 113.235 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -109.88 -33.21 6.79 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.823 2.049 . . . . 0.0 113.539 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -65.59 -28.14 68.92 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 -175.091 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -8.24 37.52 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.571 2.748 . . . . 0.0 114.332 175.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.78 -69.19 0.87 Allowed 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 128.731 2.813 . . . . 0.0 113.3 -160.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.7 m -157.71 149.23 16.92 Favored Pre-proline 0 CA--C 1.475 -1.928 1 N-CA-C 98.628 -4.582 . . . . 0.0 98.628 169.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 88.0 Cg_endo -84.54 -38.95 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 N-CA-C 120.755 3.329 . . . . 0.0 120.755 -173.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.479 ' HB3' ' CE2' ' A' ' 22' ' ' PHE 0.782 0.3 OUTLIER 178.81 -175.43 0.21 Allowed 'General case' 0 C--N 1.363 1.172 0 CA-C-N 123.803 3.001 . . . . 0.0 112.902 -177.937 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 m-85 -43.69 -22.43 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.003 1 C-N-CA 131.852 4.061 . . . . 0.0 119.116 -177.304 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.2 63.34 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 130.288 3.435 . . . . 0.0 113.645 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 27.3 t80 -74.69 -41.76 59.66 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.274 2.63 . . . . 0.0 106.5 171.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 6.6 mt -59.82 -42.19 92.97 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -41.76 97.58 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 175.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -68.78 -37.96 79.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.034 1.733 . . . . 0.0 114.497 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.86 -34.82 64.64 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 125.675 1.59 . . . . 0.0 113.624 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.1 -9.86 54.31 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 120.252 -1.53 . . . . 0.0 114.339 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.01 -12.7 2.9 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 117.319 1.688 . . . . 0.0 117.319 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.71 145.23 44.57 Favored 'General case' 0 C--N 1.365 1.283 0 C-N-CA 126.173 1.789 . . . . 0.0 113.731 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -63.68 42.7 0.01 OUTLIER 'General case' 0 C--N 1.372 1.574 0 C-N-CA 131.28 3.832 . . . . 0.0 116.954 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 3.1 p -73.28 -34.93 66.05 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 131.086 3.754 . . . . 0.0 113.12 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.38 4.22 1.87 Allowed 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -67.5 -25.04 65.66 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.607 2.763 . . . . 0.0 113.628 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.1 m -147.68 129.28 15.05 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.72 -1.863 . . . . 0.0 107.946 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -48.44 -50.97 29.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.884 2.874 . . . . 0.0 113.437 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.713 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -68.09 -34.55 76.63 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 130.674 3.589 . . . . 0.0 115.936 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -73.55 -46.3 48.32 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 125.972 1.709 . . . . 0.0 113.006 172.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.26 7.0 p -65.23 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.387 2.207 0 C-N-CA 124.5 1.12 . . . . 0.0 110.953 174.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.285 0.0 OUTLIER -62.28 -47.91 82.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.306 2.242 . . . . 0.0 112.655 170.089 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.88 -45.24 70.99 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 122.872 2.578 . . . . 0.0 115.721 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.1 -42.12 94.3 Favored 'General case' 0 C--N 1.378 1.848 0 CA-C-O 123.591 1.662 . . . . 0.0 112.932 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -61.23 -46.6 89.73 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.021 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 60' ' ' TYR 0.93 1.6 m -66.57 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 129.284 3.034 . . . . 0.0 114.273 171.045 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.02 -37.16 86.08 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 125.889 1.676 . . . . 0.0 112.555 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.327 . . -63.76 -46.17 86.48 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.547 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CG ' HG12 ' A' ' 57' ' ' VAL . 47.4 t80 -49.33 -13.04 0.06 Allowed 'General case' 0 C--N 1.36 1.06 1 C-N-CA 133.122 4.569 . . . . 0.0 116.632 -161.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.37 6.2 61.37 Favored Glycine 0 CA--C 1.541 1.661 0 O-C-N 119.549 -1.969 . . . . 0.0 117.14 161.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -90.26 -46.77 8.2 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -177.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -103.0 29.55 5.38 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 118.691 -2.506 . . . . 0.0 113.332 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -105.16 134.57 19.59 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.515 1.926 . . . . 0.0 109.08 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -84.71 160.24 12.28 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 123.545 2.83 . . . . 0.0 111.315 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.36 70.1 7.36 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.963 3.775 . . . . 0.0 110.775 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.02 164.35 21.0 Favored Pre-proline 0 N--CA 1.444 -0.756 0 C-N-CA 127.507 2.323 . . . . 0.0 106.863 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.57 176.0 10.04 Favored 'Trans proline' 0 CA--C 1.554 1.518 0 C-N-CA 124.628 3.552 . . . . 0.0 112.325 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -64.88 122.95 10.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 124.799 3.666 . . . . 0.0 114.802 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.69 155.3 81.48 Favored Pre-proline 0 C--N 1.356 0.868 0 C-N-CA 125.41 1.484 . . . . 0.0 110.006 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.3 168.26 15.03 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 124.897 3.732 . . . . 0.0 111.979 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -80.6 145.46 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.192 3.262 . . . . 0.0 113.192 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.12 132.51 52.92 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.614 1.966 . . . . 0.0 105.862 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.5 p -98.12 -87.36 0.33 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.516 1.126 . . . . 0.0 111.794 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.16 138.03 20.1 Favored 'General case' 0 N--CA 1.449 -0.494 1 N-CA-C 99.106 -4.405 . . . . 0.0 99.106 177.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -110.45 10.57 23.26 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.901 2.137 . . . . 0.0 114.952 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.19 86.2 7.05 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.483 1.513 . . . . 0.0 112.075 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.259 25.0 tp 100.12 -35.74 0.01 OUTLIER 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.374 3.07 . . . . 0.0 111.388 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -69.78 -45.94 66.9 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 130.16 3.384 . . . . 0.0 114.407 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.6 t60 . . . . . 0 C--N 1.363 1.185 0 C-N-CA 128.563 2.745 . . . . 0.0 114.439 -178.57 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.1 60.44 Favored Glycine 0 C--N 1.368 2.345 0 C-N-CA 127.619 2.533 . . . . 0.0 116.622 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.6 127.57 73.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 171.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' CB ' ' HB ' ' A' ' 31' ' ' VAL . 50.9 t0 -79.15 75.23 5.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.263 1.8 m-85 -76.3 -54.68 6.42 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.789 1.636 . . . . 0.0 114.599 149.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.503 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.452 0.2 OUTLIER -56.81 -46.77 81.41 Favored 'General case' 0 C--N 1.378 1.832 1 N-CA-C 122.848 4.388 . . . . 0.0 122.848 -163.029 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -57.8 -29.16 61.29 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 123.679 2.945 . . . . 0.0 112.787 166.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -77.2 -44.16 31.08 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 119.383 -2.245 . . . . 0.0 112.396 176.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' HG3' ' HA ' ' A' ' 5' ' ' SER 0.344 0.0 OUTLIER -69.06 -35.6 76.72 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 173.062 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -81.72 -33.31 31.17 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 175.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 4.3 mp -88.97 -39.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.373 1.597 0 O-C-N 120.189 -1.569 . . . . 0.0 112.88 174.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -109.94 -19.71 13.0 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 123.054 2.661 . . . . 0.0 112.957 -171.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.46 -85.46 1.55 Allowed Glycine 0 C--N 1.358 1.768 0 C-N-CA 125.091 1.329 . . . . 0.0 115.847 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.68 -46.26 86.32 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.791 2.836 . . . . 0.0 117.908 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 8.7 ttmt -139.19 -167.08 2.16 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 124.829 2.252 . . . . 0.0 110.919 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 7' ' ' LEU . 22.1 mt -105.5 127.73 27.96 Favored Pre-proline 0 N--CA 1.428 -1.555 0 C-N-CA 130.906 3.682 . . . . 0.0 108.574 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.93 -179.83 5.0 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 124.818 3.678 . . . . 0.0 116.917 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 33.6 tt0 -80.78 148.72 29.91 Favored 'General case' 0 N--CA 1.431 -1.397 1 C-N-CA 134.0 4.92 . . . . 0.0 111.419 177.137 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -25.86 19.32 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 121.157 3.762 . . . . 0.0 121.157 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -63.08 -47.3 83.49 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.809 2.444 . . . . 0.0 112.462 177.287 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -78.32 -41.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.226 1.41 . . . . 0.0 111.945 166.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.376 0.7 OUTLIER -67.38 -51.86 46.94 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.831 -169.169 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 49.6 m-85 -75.15 -16.66 60.51 Favored 'General case' 0 C--N 1.372 1.559 0 CA-C-N 122.241 2.291 . . . . 0.0 112.654 175.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.61 -20.96 11.51 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -101.65 134.17 45.21 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 119.421 -2.049 . . . . 0.0 110.46 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.89 -25.41 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 129.866 3.266 . . . . 0.0 114.925 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.85 24.17 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 130.825 3.65 . . . . 0.0 111.316 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.9 -39.54 5.04 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 169.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -61.34 -18.58 59.3 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -63.04 -19.55 64.48 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.326 2.251 . . . . 0.0 115.234 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -112.59 -82.37 0.59 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.851 2.86 . . . . 0.0 113.558 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 5.6 t -132.41 135.07 25.67 Favored Pre-proline 0 CA--C 1.48 -1.714 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.37 -37.3 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.515 0 CA-C-N 124.002 2.465 . . . . 0.0 117.138 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.8 0.6 OUTLIER -179.42 -175.9 0.37 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 124.076 3.125 . . . . 0.0 114.089 -176.402 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 22.3 m-85 -43.91 -21.57 0.04 OUTLIER 'General case' 0 C--N 1.376 1.719 1 C-N-CA 133.443 4.697 . . . . 0.0 117.625 -177.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.32 51.11 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 130.382 3.473 . . . . 0.0 114.235 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 31' ' ' VAL . 27.3 t80 -74.63 -48.61 25.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.19 2.196 . . . . 0.0 106.928 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.487 0.4 OUTLIER -61.92 -29.88 70.51 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 117.406 2.372 . . . . 0.0 117.406 178.235 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -70.56 -44.63 67.03 Favored 'General case' 0 C--N 1.379 1.874 0 O-C-N 119.335 -2.103 . . . . 0.0 114.882 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -69.04 -34.38 75.11 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.062 1.745 . . . . 0.0 114.205 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.5 -40.12 64.32 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.384 1.474 . . . . 0.0 114.275 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.84 -10.41 45.48 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 117.002 -1.879 . . . . 0.0 113.809 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.41 25.12 75.98 Favored Glycine 0 C--N 1.371 2.491 0 CA-C-N 119.929 1.24 . . . . 0.0 112.364 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 45' ' ' SER . 13.7 tp -102.21 149.21 24.53 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.749 1.619 . . . . 0.0 115.165 -164.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 m -101.89 -1.0 33.06 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 126.915 2.086 . . . . 0.0 113.086 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.41 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 35.0 m -73.04 -16.89 61.48 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.213 2.205 . . . . 0.0 116.044 -175.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.79 4.28 2.07 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -79.78 -23.41 42.19 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.495 2.318 . . . . 0.0 113.539 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.2 m -133.28 126.1 30.73 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -36.44 71.62 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -33.96 69.6 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.182 2.193 . . . . 0.0 113.289 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -72.85 -46.79 51.05 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.089 2.156 . . . . 0.0 113.676 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 13.1 p -67.5 -44.74 86.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.084 0 O-C-N 120.513 -1.367 . . . . 0.0 110.972 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.351 0.0 OUTLIER -62.93 -34.6 77.79 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.388 1.075 . . . . 0.0 112.778 173.873 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -63.28 -45.66 90.44 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 122.131 2.241 . . . . 0.0 114.538 167.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.24 -35.4 79.47 Favored 'General case' 0 C--N 1.378 1.816 0 CA-C-N 121.485 1.948 . . . . 0.0 113.605 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.63 -49.12 69.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.351 1.461 . . . . 0.0 114.074 173.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.616 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.094 2.7 m -61.46 -31.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 128.564 2.745 . . . . 0.0 114.961 168.283 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.63 -40.22 96.34 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 125.515 1.526 . . . . 0.0 112.737 163.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.342 . . -62.03 -39.44 92.33 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.202 1.801 . . . . 0.0 115.602 170.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CG ' HG12 ' A' ' 57' ' ' VAL . 24.8 t80 -51.17 -13.34 0.17 Allowed 'General case' 0 CA--C 1.553 1.085 1 C-N-CA 131.826 4.051 . . . . 0.0 115.758 -169.044 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.82 4.75 75.83 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.59 2.043 . . . . 0.0 116.147 166.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.323 0.0 OUTLIER -93.01 -52.23 4.68 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 121.406 2.603 . . . . 0.0 116.158 -177.404 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -80.59 0.81 32.36 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 119.52 -1.987 . . . . 0.0 114.458 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.92 85.94 2.15 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 125.938 1.695 . . . . 0.0 112.666 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -80.42 -179.7 5.42 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 124.004 3.136 . . . . 0.0 110.431 173.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.68 71.39 4.78 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.948 3.099 . . . . 0.0 112.57 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.35 173.79 3.98 Favored Pre-proline 0 C--N 1.355 0.847 0 C-N-CA 128.296 2.638 . . . . 0.0 104.97 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -90.26 102.32 0.3 Allowed 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 124.299 3.333 . . . . 0.0 111.849 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.8 70.1 6.62 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 C-N-CA 124.822 3.682 . . . . 0.0 114.404 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' O ' HG21 ' A' ' 9' ' ' THR . . . 83.11 100.04 0.03 OUTLIER Pre-proline 0 C--N 1.362 1.141 0 C-N-CA 131.4 3.88 . . . . 0.0 112.353 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.89 154.2 19.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 123.465 2.777 . . . . 0.0 111.844 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.86 133.75 15.66 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 124.154 3.236 . . . . 0.0 111.295 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -122.43 125.44 45.85 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.23 -1.544 . . . . 0.0 111.32 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 p -105.11 127.15 52.76 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 172.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.02 69.04 4.18 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.055 -2.278 . . . . 0.0 115.043 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t 47.56 -143.02 0.41 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 130.916 3.686 . . . . 0.0 119.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -108.3 -49.1 3.24 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 129.269 3.027 . . . . 0.0 110.164 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.78 31.44 6.74 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.007 2.123 . . . . 0.0 109.723 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.752 2.1 mp0 61.66 105.31 0.02 OUTLIER 'General case' 0 C--N 1.352 0.674 1 C-N-CA 133.161 4.585 . . . . 0.0 119.484 -178.493 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.342 0.3 OUTLIER . . . . . 0 C--N 1.361 1.066 1 C-N-CA 133.783 4.833 . . . . 0.0 117.472 -176.803 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.44 -0.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 64.01 -58.77 0.06 OUTLIER Glycine 0 C--N 1.361 1.969 0 C-N-CA 129.264 3.316 . . . . 0.0 117.982 174.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.475 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 1.4 mt -123.56 142.02 41.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 25.1 t0 -81.92 68.78 8.43 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 118.542 2.793 . . . . 0.0 118.542 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.478 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.52 0.3 OUTLIER -76.57 -67.35 0.7 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 129.743 3.217 . . . . 0.0 118.988 155.062 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.303 3.8 m -56.6 -47.05 80.43 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.24 -22.63 69.31 Favored Glycine 0 C--N 1.377 2.836 0 CA-C-N 122.772 2.533 . . . . 0.0 114.07 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 7' ' ' LEU 0.351 2.0 mp -76.95 -44.25 32.09 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 116.952 -3.675 . . . . 0.0 111.267 176.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.478 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.305 0.0 OUTLIER -69.76 -42.28 74.07 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 170.435 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.409 0.6 OUTLIER -82.81 -21.96 34.35 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -101.84 -32.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.314 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.964 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.4 -30.45 5.55 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 124.021 3.101 . . . . 0.0 112.987 -173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.52 -112.86 2.76 Favored Glycine 0 C--N 1.359 1.83 0 N-CA-C 118.875 2.31 . . . . 0.0 118.875 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 120.836 3.643 . . . . 0.0 120.836 -168.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -142.27 176.69 8.79 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 102.762 -3.051 . . . . 0.0 102.762 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 56' ' ' PHE . 13.2 mt -76.48 138.45 67.3 Favored Pre-proline 0 C--N 1.355 0.815 0 O-C-N 120.698 -1.251 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' CB ' HD11 ' A' ' 20' ' ' ILE . 15.5 Cg_endo -85.19 173.29 7.93 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.553 2.835 . . . . 0.0 112.971 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 9.2 mp0 -61.19 152.91 27.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.765 2.826 . . . . 0.0 117.037 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.356 2.8 p -58.26 -23.68 56.91 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 120.269 3.433 . . . . 0.0 120.269 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -63.65 -46.6 84.89 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 127.8 2.44 . . . . 0.0 111.116 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' CB ' ' A' ' 16' ' ' PRO 0.261 14.0 pt -77.87 -43.48 28.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 165.031 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.477 1.0 OUTLIER -62.14 -53.79 50.36 Favored 'General case' 0 C--N 1.373 1.596 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -174.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 32.2 m-85 -75.22 -17.54 60.32 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 122.757 2.526 . . . . 0.0 112.246 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.41 -20.52 11.76 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.2 m -100.99 129.12 46.78 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 121.286 1.857 . . . . 0.0 111.236 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -49.52 -36.34 10.14 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.281 3.433 . . . . 0.0 114.947 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.6 -32.04 11.93 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 129.163 2.985 . . . . 0.0 114.075 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.06 -39.7 4.95 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.585 -0.697 . . . . 0.0 112.067 166.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -60.7 -19.02 57.66 Favored 'General case' 0 C--N 1.375 1.699 0 O-C-N 118.565 -2.584 . . . . 0.0 117.278 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -66.99 -14.88 63.32 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.954 2.102 . . . . 0.0 115.085 175.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.412 ' CD2' ' HG3' ' A' ' 29' ' ' LYS . 3.3 m-30 -113.65 -60.8 1.83 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.136 2.974 . . . . 0.0 115.104 -170.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 3.1 t -158.7 137.92 8.25 Favored Pre-proline 0 CA--C 1.491 -1.325 0 N-CA-C 101.11 -3.663 . . . . 0.0 101.11 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.68 -38.22 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 CA-C-N 125.144 2.873 . . . . 0.0 118.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.954 0.6 OUTLIER 179.55 -175.1 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 123.933 3.06 . . . . 0.0 114.294 -177.92 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 18.8 m-85 -43.49 -24.72 0.12 Allowed 'General case' 0 N--CA 1.503 2.192 1 C-N-CA 132.523 4.329 . . . . 0.0 118.3 -175.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.87 67.83 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.819 3.248 . . . . 0.0 113.927 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HG22 ' A' ' 31' ' ' VAL . 4.7 t80 -74.64 -37.19 62.85 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.352 2.261 . . . . 0.0 107.479 172.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 8.4 mt -59.84 -37.02 78.07 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.77 -39.99 84.08 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -68.41 -37.83 80.71 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 125.778 1.631 . . . . 0.0 113.166 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.32 -48.83 39.08 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.408 2.283 . . . . 0.0 114.525 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mp -110.47 -8.7 14.63 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 116.74 -1.984 . . . . 0.0 115.125 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 31.29 64.38 Favored Glycine 0 C--N 1.375 2.725 0 CA-C-N 120.883 1.674 . . . . 0.0 114.118 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -84.98 133.04 34.27 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 -166.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 p -85.13 -1.39 56.82 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 128.722 2.809 . . . . 0.0 110.899 170.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -73.22 -24.43 60.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.599 3.56 . . . . 0.0 111.352 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.66 3.99 2.16 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -82.35 -15.14 53.88 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.928 2.491 . . . . 0.0 112.671 173.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.5 m -147.6 140.47 24.89 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.743 -1.848 . . . . 0.0 109.075 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.46 -46.8 83.23 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 125.929 1.692 . . . . 0.0 113.911 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.46 -34.3 75.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.094 2.158 . . . . 0.0 113.887 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -73.65 -46.88 43.92 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.597 2.359 . . . . 0.0 115.292 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.14 -40.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.376 1.724 0 O-C-N 120.221 -1.549 . . . . 0.0 111.108 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -64.33 -34.27 77.75 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.533 1.533 . . . . 0.0 113.685 169.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -67.71 -43.33 80.28 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.291 2.236 . . . . 0.0 114.357 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.36 -38.51 90.27 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 124.446 2.07 . . . . 0.0 110.684 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 2.8 m-85 -64.03 -42.73 96.98 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 113.439 -1.71 . . . . 0.0 114.554 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.106 25.1 m -67.2 -32.02 55.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 130.182 3.393 . . . . 0.0 115.571 172.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.78 -39.73 95.14 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.446 2.299 . . . . 0.0 110.695 162.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.321 . . -64.29 -43.49 94.6 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 167.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CG ' HG12 ' A' ' 57' ' ' VAL . 12.4 t80 -51.21 -13.84 0.21 Allowed 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 131.918 4.087 . . . . 0.0 114.67 -167.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.53 5.98 84.14 Favored Glycine 0 CA--C 1.544 1.87 0 O-C-N 119.241 -2.162 . . . . 0.0 118.28 162.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -94.0 -52.61 4.33 Favored 'General case' 0 C--N 1.376 1.756 0 CA-C-N 121.843 2.822 . . . . 0.0 115.862 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -93.06 29.38 1.87 Allowed 'General case' 0 C--N 1.363 1.155 0 O-C-N 119.044 -2.285 . . . . 0.0 112.25 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -83.92 133.83 45.2 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 127.902 2.481 . . . . 0.0 113.301 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -85.67 158.24 10.56 Favored 'Trans proline' 0 CA--C 1.557 1.656 0 C-N-CA 123.891 3.061 . . . . 0.0 110.978 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.43 65.23 8.74 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 124.549 3.499 . . . . 0.0 112.024 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.14 166.66 10.49 Favored Pre-proline 0 C--N 1.356 0.878 0 C-N-CA 126.155 1.782 . . . . 0.0 106.349 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.48 164.78 28.19 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 C-N-CA 124.446 3.431 . . . . 0.0 113.251 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.4 73.27 5.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.623 3.549 . . . . 0.0 112.828 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.35 170.04 12.26 Favored Pre-proline 0 C--N 1.357 0.923 0 C-N-CA 128.477 2.711 . . . . 0.0 110.993 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -69.31 151.14 71.65 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 124.059 3.173 . . . . 0.0 115.113 -174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 145.54 31.68 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 124.428 3.419 . . . . 0.0 113.021 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.8 tp -114.47 146.27 40.87 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.27 1.828 . . . . 0.0 108.353 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.262 6.4 m 82.0 40.95 0.04 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.394 3.078 . . . . 0.0 110.54 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.4 pt? -97.3 -25.34 15.29 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.9 p -122.96 -68.66 0.87 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-N 120.984 1.72 . . . . 0.0 113.504 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -36.95 -70.04 0.1 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 131.248 3.819 . . . . 0.0 118.52 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.53 51.39 0.74 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.996 1.718 . . . . 0.0 107.275 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.97 -134.95 0.03 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.724 1.61 . . . . 0.0 107.532 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 . . . . . 0 C--N 1.358 0.938 0 C-N-CA 124.758 1.223 . . . . 0.0 108.494 178.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -73.12 -54.13 7.24 Favored Glycine 0 C--N 1.369 2.362 0 C-N-CA 126.015 1.769 . . . . 0.0 115.403 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 mp -108.57 140.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 170.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 31' ' ' VAL . 31.1 t0 -82.94 75.6 9.82 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 120.087 -1.633 . . . . 0.0 111.996 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.501 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.398 6.9 m-85 -77.16 -59.36 2.81 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.587 1.955 . . . . 0.0 113.757 147.361 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.935 4.1 p -61.9 -36.67 81.99 Favored 'General case' 0 C--N 1.38 1.897 1 N-CA-C 124.115 4.857 . . . . 0.0 124.115 -166.763 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -63.09 -26.59 69.34 Favored Glycine 0 C--N 1.381 3.059 1 CA-C-N 126.216 4.098 . . . . 0.0 113.379 163.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.325 0.0 OUTLIER -77.03 -48.65 17.31 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 119.97 -1.9 . . . . 0.0 111.939 174.549 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.531 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.327 0.0 OUTLIER -68.32 -34.55 76.34 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.629 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.408 0.4 OUTLIER -82.23 -31.86 30.02 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.473 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 2.6 mp -86.09 -39.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.379 1.881 0 CA-C-N 121.491 1.95 . . . . 0.0 112.274 172.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.644 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 81.7 m-85 -109.95 -16.48 13.83 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 122.833 2.561 . . . . 0.0 113.455 -170.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.4 -77.24 1.74 Allowed Glycine 0 C--N 1.36 1.872 0 C-N-CA 125.392 1.472 . . . . 0.0 115.477 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -51.04 71.17 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 129.518 3.127 . . . . 0.0 118.566 -173.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 6.8 ttmm -148.3 -153.61 0.5 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-O 124.238 1.971 . . . . 0.0 112.181 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 57' ' ' VAL . 16.2 mt -113.53 133.16 22.23 Favored Pre-proline 0 N--CA 1.441 -0.91 0 C-N-CA 129.145 2.978 . . . . 0.0 110.205 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.557 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 62.0 Cg_endo -80.42 178.27 7.26 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 125.06 3.84 . . . . 0.0 114.251 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -94.87 161.86 13.99 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 129.605 3.162 . . . . 0.0 111.397 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.253 0.8 OUTLIER -51.34 -23.68 3.93 Favored 'General case' 0 C--N 1.355 0.835 1 N-CA-C 124.501 5.0 . . . . 0.0 124.501 -171.64 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -72.15 -47.66 49.3 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 122.502 2.41 . . . . 0.0 111.612 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 11' ' ' PHE 0.335 0.0 OUTLIER -77.76 -34.61 20.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 126.244 1.817 . . . . 0.0 111.244 173.059 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.456 0.5 OUTLIER -71.51 -54.01 11.95 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.775 174.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.301 58.2 m-85 -75.21 -27.01 59.4 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-N 124.965 3.529 . . . . 0.0 114.216 176.334 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.05 11.42 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -96.59 144.55 26.54 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.724 -1.86 . . . . 0.0 109.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.374 0.2 OUTLIER -67.38 -3.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 O-C-N 119.461 -2.024 . . . . 0.0 116.44 -175.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.4 -44.83 55.16 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 129.772 3.229 . . . . 0.0 111.387 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.21 -38.67 5.21 Favored 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 129.744 3.218 . . . . 0.0 118.327 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -22.28 5.11 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -169.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -15.14 60.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.17 2.588 . . . . 0.0 113.082 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -106.01 -108.93 0.3 Allowed 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.336 1.854 . . . . 0.0 107.841 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' H ' ' HB2' ' A' ' 3' ' ' ASP . 1.1 m -115.67 145.03 33.69 Favored Pre-proline 0 CA--C 1.476 -1.892 0 N-CA-C 100.861 -3.755 . . . . 0.0 100.861 174.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.3 Cg_endo -80.67 -37.42 0.36 Allowed 'Trans proline' 0 N--CA 1.432 -2.132 0 CA-C-O 115.678 -1.884 . . . . 0.0 115.287 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.673 0.6 OUTLIER -178.8 -175.49 0.41 Allowed 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 124.835 3.47 . . . . 0.0 112.983 -174.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.737 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.2 m-85 -44.31 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 131.649 3.98 . . . . 0.0 117.269 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.59 68.04 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 128.075 2.55 . . . . 0.0 114.547 171.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 57.4 t80 -74.82 -51.0 15.17 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.072 1.749 . . . . 0.0 107.328 170.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.737 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.571 4.2 pp -64.62 -29.49 70.5 Favored 'General case' 0 C--N 1.363 1.166 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -175.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttp-105 -72.46 -48.19 42.87 Favored 'General case' 0 C--N 1.377 1.768 0 O-C-N 119.378 -2.076 . . . . 0.0 114.993 172.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -68.96 -34.72 75.8 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 124.638 1.175 . . . . 0.0 113.847 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -75.89 -35.81 59.71 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 124.996 1.318 . . . . 0.0 113.871 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.63 -10.34 54.06 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 122.013 2.188 . . . . 0.0 112.232 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.6 30.64 66.19 Favored Glycine 0 C--N 1.374 2.66 0 C-N-CA 126.794 2.14 . . . . 0.0 111.916 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -115.97 149.07 39.38 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -159.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -96.79 31.18 2.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.064 2.546 . . . . 0.0 112.308 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 p -73.19 -8.99 58.2 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 131.404 3.882 . . . . 0.0 113.228 174.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.18 4.6 1.2 Allowed 'General case' 0 C--N 1.354 0.795 1 C-N-CA 134.003 4.921 . . . . 0.0 117.64 -169.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -75.48 -58.41 3.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 130.29 3.436 . . . . 0.0 114.981 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.6 p -142.47 152.79 43.07 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.587 1.955 . . . . 0.0 109.878 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 4.1 t30 -61.58 -27.15 68.43 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.397 1.879 . . . . 0.0 113.011 175.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -72.63 -43.89 62.63 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.428 2.691 . . . . 0.0 112.352 176.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.36 -47.09 52.25 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 126.889 2.076 . . . . 0.0 113.842 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.285 9.0 p -64.86 -49.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.919 174.153 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.453 0.0 OUTLIER -59.52 -32.09 69.98 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 125.321 1.448 . . . . 0.0 114.906 173.136 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.44 -51.05 67.33 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.407 -1.433 . . . . 0.0 114.238 167.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -67.27 -36.74 82.22 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-O 124.052 1.882 . . . . 0.0 113.576 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.551 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 123.785 1.755 . . . . 0.0 112.889 175.151 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.148 1.0 OUTLIER -65.9 -30.27 49.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 127.957 2.503 . . . . 0.0 114.425 174.106 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.56 -42.67 99.69 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 124.954 1.302 . . . . 0.0 113.622 160.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.324 . . -60.32 -35.71 76.25 Favored 'General case' 0 C--N 1.394 2.503 0 O-C-N 119.565 -1.959 . . . . 0.0 114.816 169.469 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CG ' HG22 ' A' ' 57' ' ' VAL . 20.0 t80 -51.79 -13.52 0.28 Allowed 'General case' 0 CA--C 1.568 1.654 0 C-N-CA 129.628 3.171 . . . . 0.0 115.501 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.36 6.39 57.76 Favored Glycine 0 C--N 1.361 1.925 0 C-N-CA 127.486 2.469 . . . . 0.0 116.243 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -96.31 -41.85 8.45 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 121.741 2.771 . . . . 0.0 117.033 -176.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -97.35 -4.43 38.53 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.919 2.088 . . . . 0.0 113.698 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 113.23 10.29 Favored Pre-proline 0 CA--C 1.562 1.418 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.84 157.34 27.55 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 C-N-CA 123.264 2.643 . . . . 0.0 110.796 171.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.06 39.02 0.72 Allowed 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 124.455 3.436 . . . . 0.0 114.399 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.74 65.33 0.45 Allowed Pre-proline 0 C--N 1.358 0.965 0 C-N-CA 125.504 1.522 . . . . 0.0 112.265 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.33 114.85 3.6 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 C-N-CA 124.416 3.411 . . . . 0.0 111.465 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -88.65 178.11 2.93 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.793 2.995 . . . . 0.0 112.545 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.14 -48.66 26.66 Favored Pre-proline 0 C--N 1.365 1.279 0 C-N-CA 126.997 2.119 . . . . 0.0 116.503 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -84.25 141.43 9.14 Favored 'Trans proline' 0 CA--C 1.555 1.548 0 CA-C-N 125.417 2.97 . . . . 0.0 111.332 173.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.3 153.99 40.78 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.635 3.557 . . . . 0.0 112.809 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -113.39 103.77 11.63 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 124.747 1.219 . . . . 0.0 111.935 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -98.89 -68.2 0.81 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.131 1.773 . . . . 0.0 107.179 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -142.47 54.02 1.43 Allowed 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -112.18 -145.76 0.4 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.939 1.695 . . . . 0.0 111.132 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 tptp 68.91 -67.99 0.2 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 131.11 3.764 . . . . 0.0 114.246 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.46 -22.99 22.22 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.218 1.807 . . . . 0.0 110.308 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.77 50.23 0.78 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 128.829 2.852 . . . . 0.0 105.899 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.358 0.953 0 N-CA-C 119.178 3.029 . . . . 0.0 119.178 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.6 -35.72 21.8 Favored Glycine 0 C--N 1.365 2.161 0 C-N-CA 127.133 2.301 . . . . 0.0 111.106 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.93 134.31 59.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 168.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' CG ' HD11 ' A' ' 7' ' ' LEU . 28.2 t0 -79.08 68.21 4.98 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 -174.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.535 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.467 2.2 m-85 -76.05 -62.85 1.46 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 129.053 2.941 . . . . 0.0 116.124 156.327 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.454 1.7 m -56.59 -46.51 80.79 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 120.664 3.579 . . . . 0.0 120.664 -163.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -60.07 -29.33 67.98 Favored Glycine 0 C--N 1.38 3.021 0 CA-C-N 124.933 3.515 . . . . 0.0 115.214 170.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.744 HD12 ' H ' ' A' ' 7' ' ' LEU 0.265 0.8 OUTLIER -76.28 -45.46 32.48 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 129.484 3.113 . . . . 0.0 108.857 177.543 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.368 0.4 OUTLIER -69.08 -40.87 78.17 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.871 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.406 0.6 OUTLIER -82.26 -22.6 35.72 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -179.407 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 4.3 mp -99.36 -36.85 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 120.039 1.291 . . . . 0.0 110.422 170.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 10.9 m-85 -109.93 -21.04 12.53 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 123.7 2.954 . . . . 0.0 113.708 -170.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.54 -93.03 1.78 Allowed Glycine 0 C--N 1.357 1.708 0 N-CA-C 116.834 1.493 . . . . 0.0 116.834 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -71.11 -47.8 55.91 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 120.338 3.459 . . . . 0.0 120.338 -170.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -141.31 157.24 45.47 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.05 150.09 60.58 Favored Pre-proline 0 C--N 1.359 0.983 0 C-N-CA 125.173 1.389 . . . . 0.0 111.552 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD11 ' A' ' 20' ' ' ILE . 95.8 Cg_endo -72.61 -179.12 3.85 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 123.988 3.125 . . . . 0.0 119.105 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -81.69 160.55 23.66 Favored 'General case' 0 N--CA 1.427 -1.595 1 C-N-CA 134.191 4.996 . . . . 0.0 108.331 175.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -62.37 -23.68 66.95 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -65.28 -47.7 75.73 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.829 1.652 . . . . 0.0 112.672 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 16' ' ' PRO 0.315 9.8 pt -78.72 -34.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.448 0 O-C-N 120.933 -1.104 . . . . 0.0 113.722 164.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' HB2' ' HG2' ' A' ' 16' ' ' PRO 0.391 1.1 t80 -71.33 -48.51 49.94 Favored 'General case' 0 C--N 1.376 1.732 0 O-C-N 120.202 -1.561 . . . . 0.0 112.893 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 11.7 m-85 -75.92 -13.79 60.26 Favored 'General case' 0 C--N 1.371 1.527 0 CA-C-N 121.267 1.849 . . . . 0.0 113.195 174.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.18 -21.05 11.2 Favored 'General case' 0 C--N 1.375 1.695 0 N-CA-C 118.613 2.819 . . . . 0.0 118.613 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 m -104.93 124.82 50.16 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 119.397 -2.064 . . . . 0.0 110.318 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' LYS . 5.4 t -61.73 -17.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 128.343 2.657 . . . . 0.0 115.069 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.16 33.05 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 130.151 3.38 . . . . 0.0 110.953 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.33 -39.1 5.32 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.347 1.059 . . . . 0.0 111.805 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -18.56 8.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 120.216 3.413 . . . . 0.0 120.216 -177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.17 -12.83 61.87 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.929 2.491 . . . . 0.0 114.148 177.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -110.54 -78.23 0.59 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.22 2.608 . . . . 0.0 111.344 -171.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 m -139.74 153.58 70.18 Favored Pre-proline 0 CA--C 1.474 -1.96 0 N-CA-C 100.407 -3.923 . . . . 0.0 100.407 173.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.03 -38.08 0.14 Allowed 'Trans proline' 0 N--CA 1.441 -1.586 0 N-CA-C 118.526 2.472 . . . . 0.0 118.526 -173.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.792 0.1 OUTLIER 179.27 -175.78 0.25 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-N 122.675 2.489 . . . . 0.0 113.11 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.7 m-85 -44.27 -20.82 0.03 OUTLIER 'General case' 0 C--N 1.382 2.019 1 C-N-CA 132.844 4.458 . . . . 0.0 117.506 -178.553 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.86 -44.32 49.68 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 130.461 3.504 . . . . 0.0 114.156 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 11.4 t80 -74.81 -50.39 17.33 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.465 1.906 . . . . 0.0 106.624 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.478 0.3 OUTLIER -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.311 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -65.83 -41.61 91.57 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.678 2.035 . . . . 0.0 115.33 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -69.25 -34.7 75.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.09 1.756 . . . . 0.0 113.521 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.09 -23.95 26.48 Favored 'General case' 0 C--N 1.369 1.452 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.63 -8.68 59.59 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 118.71 -2.494 . . . . 0.0 115.421 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 -13.74 2.47 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 127.816 2.626 . . . . 0.0 116.841 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.63 144.82 42.8 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.517 1.527 . . . . 0.0 113.995 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -70.5 54.3 0.15 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.536 3.534 . . . . 0.0 114.69 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.9 p -73.03 -37.44 66.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 131.082 3.753 . . . . 0.0 117.442 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 3.94 2.28 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -66.2 -30.05 70.44 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.303 2.241 . . . . 0.0 114.497 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -148.06 127.82 13.42 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.387 -1.445 . . . . 0.0 107.474 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.2 t30 -61.95 -32.44 72.87 Favored 'General case' 0 C--N 1.382 1.981 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -73.17 -33.88 65.71 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -73.2 -47.03 47.0 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.115 1.366 . . . . 0.0 113.027 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 45' ' ' SER 0.288 14.6 p -65.87 -47.73 84.49 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-O 117.292 -1.337 . . . . 0.0 111.31 172.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.487 0.0 OUTLIER -61.77 -34.21 75.46 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 117.546 -1.216 . . . . 0.0 112.871 175.394 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.57 -45.61 92.12 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 122.523 2.419 . . . . 0.0 114.935 165.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -65.78 -39.86 91.41 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 121.971 2.169 . . . . 0.0 113.575 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.74 -52.02 65.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.39 -1.732 . . . . 0.0 114.021 171.282 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.155 4.6 m -60.99 -31.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 128.328 2.651 . . . . 0.0 116.165 169.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.49 -44.69 95.76 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.231 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' LYS 0.333 . . -63.89 -33.47 75.78 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 168.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.689 ' CG ' HG12 ' A' ' 57' ' ' VAL . 9.5 t80 -52.37 -13.17 0.32 Allowed 'General case' 0 CA--C 1.588 2.44 0 C-N-CA 128.441 2.696 . . . . 0.0 115.8 -173.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.5 6.93 65.71 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 128.97 3.176 . . . . 0.0 116.259 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 12.1 ttpt -91.74 -52.95 4.5 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.005 3.322 . . . . 0.0 115.339 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -101.26 29.38 4.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.591 -1.943 . . . . 0.0 112.06 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -88.27 135.55 32.86 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 128.999 2.92 . . . . 0.0 111.91 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -86.19 157.07 9.72 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 123.163 2.576 . . . . 0.0 111.121 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.36 68.27 8.01 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.4 162.41 27.04 Favored Pre-proline 0 N--CA 1.443 -0.809 0 C-N-CA 127.076 2.151 . . . . 0.0 107.665 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.11 172.01 15.46 Favored 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 125.02 3.813 . . . . 0.0 111.804 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 138.46 24.6 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.483 3.455 . . . . 0.0 113.65 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.04 162.06 27.73 Favored Pre-proline 0 C--N 1.353 0.74 0 C-N-CA 126.724 2.009 . . . . 0.0 106.301 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.96 169.13 13.33 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.355 3.37 . . . . 0.0 111.816 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.62 152.91 23.07 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.881 3.054 . . . . 0.0 113.865 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.8 tp -119.63 150.54 40.15 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.413 1.885 . . . . 0.0 110.016 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -93.67 129.56 39.93 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.591 1.956 . . . . 0.0 108.814 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.24 61.56 6.62 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.489 2.316 . . . . 0.0 110.719 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -138.43 51.06 1.86 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.326 1.85 . . . . 0.0 107.685 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -148.94 108.59 4.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 N-CA-C 100.098 -4.038 . . . . 0.0 100.098 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 tp 78.96 -39.49 0.23 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.396 2.278 . . . . 0.0 113.183 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.31 0.71 44.58 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 130.515 3.526 . . . . 0.0 114.1 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--N 1.362 1.144 0 C-N-CA 128.692 2.797 . . . . 0.0 112.796 176.783 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 tpp . . . . . 0 N--CA 1.444 -0.74 0 CA-C-O 122.423 1.106 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.68 0.72 Allowed Glycine 0 C--N 1.361 1.952 0 C-N-CA 128.011 2.719 . . . . 0.0 116.435 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.89 150.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 126.612 1.965 . . . . 0.0 106.913 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 33.3 t0 -93.34 67.98 4.14 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.465 -2.022 . . . . 0.0 116.008 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.414 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.421 9.1 m-85 -76.78 -63.07 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 157.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 9' ' ' THR 0.497 0.5 OUTLIER -57.36 -40.73 78.68 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 -164.922 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -63.28 -28.24 71.95 Favored Glycine 0 C--N 1.377 2.841 0 CA-C-N 123.875 3.034 . . . . 0.0 112.544 171.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 3' ' ' ASP . 0.7 OUTLIER -75.98 -53.35 8.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.994 -1.886 . . . . 0.0 110.362 177.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 60' ' ' TYR 0.303 2.0 ptt85 -68.63 -32.45 72.33 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.383 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 5' ' ' SER 0.481 0.5 OUTLIER -83.32 -26.8 30.24 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 177.664 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -98.16 -35.59 5.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-N 120.375 1.443 . . . . 0.0 109.437 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -108.42 -11.85 15.11 Favored 'General case' 0 C--N 1.383 2.055 0 CA-C-N 122.516 2.416 . . . . 0.0 113.611 -170.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.32 3.8 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 118.538 2.175 . . . . 0.0 118.538 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.93 -50.78 8.77 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 118.294 2.701 . . . . 0.0 118.294 -170.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 18.0 ttmt -143.27 -151.23 0.35 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 122.579 1.18 . . . . 0.0 109.701 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 HD23 ' A' ' 7' ' ' LEU 0.253 16.0 mt -113.59 128.19 25.98 Favored Pre-proline 0 N--CA 1.444 -0.762 0 C-N-CA 130.39 3.476 . . . . 0.0 107.633 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.94 175.71 9.37 Favored 'Trans proline' 0 N--CA 1.457 -0.639 1 C-N-CA 125.316 4.011 . . . . 0.0 116.14 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.65 163.27 14.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.556 2.342 . . . . 0.0 111.082 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.423 1.0 OUTLIER -54.93 -30.34 58.43 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 -173.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -47.51 85.02 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 127.587 2.355 . . . . 0.0 113.095 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.264 0.1 OUTLIER -78.71 -41.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 121.207 -0.933 . . . . 0.0 113.392 165.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.317 0.9 OUTLIER -67.11 -51.35 55.31 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 112.616 -169.73 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -75.66 -11.58 60.03 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.39 -1.444 . . . . 0.0 112.749 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.68 -21.92 10.5 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 119.382 3.104 . . . . 0.0 119.382 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -109.75 129.87 55.57 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.999 -2.313 . . . . 0.0 110.557 -174.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 29' ' ' LYS . 2.8 t -64.34 -10.11 7.64 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 127.885 2.474 . . . . 0.0 115.153 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -41.22 46.24 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.942 3.697 . . . . 0.0 110.263 168.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.87 -40.02 4.91 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 124.584 1.154 . . . . 0.0 112.249 166.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -52.37 -18.06 1.45 Allowed 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 120.208 3.41 . . . . 0.0 120.208 -172.203 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.67 -17.2 64.72 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 129.027 2.931 . . . . 0.0 114.157 176.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -112.09 -59.11 2.04 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -169.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.686 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 2.9 t -156.51 142.27 12.78 Favored Pre-proline 0 CA--C 1.48 -1.719 1 N-CA-C 98.718 -4.549 . . . . 0.0 98.718 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 93.5 Cg_endo -82.12 -38.01 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 CA-C-O 114.751 -2.27 . . . . 0.0 117.637 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.827 0.3 OUTLIER 179.23 -176.1 0.25 Allowed 'General case' 0 C--N 1.363 1.163 0 CA-C-N 122.877 2.581 . . . . 0.0 111.228 177.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 7.7 m-85 -43.93 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.378 1.832 1 C-N-CA 132.909 4.484 . . . . 0.0 118.664 -175.387 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -49.16 36.41 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 129.997 3.319 . . . . 0.0 113.991 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.683 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.4 t80 -74.82 -48.08 27.14 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.939 1.696 . . . . 0.0 107.17 171.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.521 0.4 OUTLIER -60.59 -29.61 69.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 179.336 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -70.75 -40.97 72.37 Favored 'General case' 0 C--N 1.383 2.022 0 O-C-N 120.224 -1.548 . . . . 0.0 113.89 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 125.804 1.642 . . . . 0.0 113.076 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -71.06 -44.32 66.0 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.734 2.014 . . . . 0.0 114.066 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -89.66 -9.79 48.26 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.593 1.542 . . . . 0.0 114.312 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.22 74.86 Favored Glycine 0 C--N 1.37 2.423 0 CA-C-O 123.112 1.396 . . . . 0.0 114.156 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.269 16.8 tp -115.36 131.59 56.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 127.532 2.333 . . . . 0.0 108.228 -167.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 p -86.16 27.62 0.9 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 126.144 1.778 . . . . 0.0 115.337 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -10.07 59.4 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.02 -16.4 63.71 Favored 'General case' 0 C--N 1.376 1.736 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.77 -31.07 25.41 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.254 1.1 p -133.88 136.55 44.41 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.822 1.192 . . . . 0.0 108.024 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -64.79 -29.83 70.81 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.986 1.314 . . . . 0.0 113.687 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 19.8 mmm180 -73.69 -39.68 64.2 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 173.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -45.92 56.68 Favored 'General case' 0 C--N 1.372 1.562 0 CA-C-N 120.399 1.454 . . . . 0.0 113.876 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' PHE 0.275 11.7 p -66.29 -48.49 80.89 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 O-C-N 120.544 -1.348 . . . . 0.0 111.439 174.337 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.531 0.0 OUTLIER -57.84 -31.24 66.46 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.564 1.546 . . . . 0.0 114.275 173.085 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -53.87 35.26 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.878 -1.139 . . . . 0.0 113.146 167.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -65.17 -34.97 79.66 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 122.059 2.209 . . . . 0.0 115.127 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -67.67 -48.84 65.49 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 124.622 2.154 . . . . 0.0 113.625 173.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.174 1.0 OUTLIER -67.17 -31.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 O-C-N 118.061 -2.899 . . . . 0.0 115.503 174.599 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.09 -41.26 98.02 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 126.409 1.884 . . . . 0.0 112.065 161.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.346 . . -58.73 -33.42 70.21 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.62 1.568 . . . . 0.0 115.193 166.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -51.4 -14.73 0.32 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.08 6.45 78.87 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 128.254 2.835 . . . . 0.0 117.358 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -90.57 -52.04 5.1 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.37 3.468 . . . . 0.0 114.432 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.92 23.7 13.54 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.579 -1.326 . . . . 0.0 112.833 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.52 131.44 68.26 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 128.042 2.537 . . . . 0.0 113.124 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.78 151.48 21.83 Favored 'Trans proline' 0 CA--C 1.558 1.695 0 C-N-CA 123.963 3.109 . . . . 0.0 111.524 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.27 65.43 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 125.067 3.845 . . . . 0.0 111.962 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.33 163.7 23.67 Favored Pre-proline 0 C--N 1.353 0.757 0 C-N-CA 127.011 2.124 . . . . 0.0 107.308 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -83.16 -178.86 4.01 Favored 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 124.776 3.65 . . . . 0.0 111.248 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -61.32 120.11 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 125.147 3.898 . . . . 0.0 115.864 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.22 155.71 77.22 Favored Pre-proline 0 C--N 1.357 0.92 0 C-N-CA 126.504 1.922 . . . . 0.0 109.975 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.27 168.95 19.58 Favored 'Trans proline' 0 C--N 1.365 1.416 1 C-N-CA 125.609 4.206 . . . . 0.0 113.049 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -81.95 155.11 17.47 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.177 3.252 . . . . 0.0 115.164 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.5 tp -136.76 150.75 48.56 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.518 2.727 . . . . 0.0 104.563 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 t -141.34 -170.49 3.09 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.7 mt -94.79 161.95 13.96 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 126.745 2.018 . . . . 0.0 113.03 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.5 m -122.17 31.35 6.21 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.956 2.102 . . . . 0.0 107.973 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -100.67 84.26 2.71 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.195 1.798 . . . . 0.0 108.989 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.255 47.6 mt 98.64 -24.37 0.03 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 130.054 3.341 . . . . 0.0 110.616 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -88.07 11.12 16.92 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.733 2.413 . . . . 0.0 114.686 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--N 1.362 1.113 0 O-C-N 120.115 -1.616 . . . . 0.0 111.184 179.691 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.5 -13.05 83.63 Favored Glycine 0 C--N 1.367 2.256 0 C-N-CA 125.135 1.35 . . . . 0.0 114.289 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -122.7 134.29 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.681 ' CG ' HD11 ' A' ' 7' ' ' LEU . 27.0 t0 -80.67 69.26 7.15 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.451 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.523 0.5 OUTLIER -77.34 -65.86 0.9 Allowed 'General case' 0 C--N 1.344 0.35 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 153.946 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.378 1.0 OUTLIER -56.61 -46.86 80.68 Favored 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 -162.105 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -54.71 -33.96 55.89 Favored Glycine 0 C--N 1.376 2.758 0 CA-C-N 122.223 2.283 . . . . 0.0 116.93 167.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' H ' ' A' ' 7' ' ' LEU 0.318 0.7 OUTLIER -77.1 -41.73 40.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 118.57 -2.724 . . . . 0.0 112.103 177.07 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 5' ' ' SER 0.348 0.0 OUTLIER -69.72 -38.9 77.07 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.446 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.386 1.4 t -82.3 -30.02 30.79 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 5.2 mp -98.25 -33.12 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.417 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 20' ' ' ILE 0.294 52.8 m-85 -113.93 -29.94 6.88 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 124.547 3.339 . . . . 0.0 112.506 -171.225 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.79 -104.07 1.26 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 118.169 2.027 . . . . 0.0 118.169 161.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -78.97 -24.85 43.59 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 119.403 3.112 . . . . 0.0 119.403 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -146.87 169.15 19.73 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.45 140.2 55.87 Favored Pre-proline 0 C--N 1.353 0.734 0 O-C-N 120.788 -1.195 . . . . 0.0 112.294 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' CB ' HD11 ' A' ' 20' ' ' ILE . 10.3 Cg_endo -85.26 -178.76 3.23 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 124.139 3.226 . . . . 0.0 112.098 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -84.11 155.66 22.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.098 2.159 . . . . 0.0 115.986 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -23.2 15.67 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 131.576 3.95 . . . . 0.0 120.469 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' CE1' HG23 ' A' ' 20' ' ' ILE . 32.2 p80 -66.86 -43.46 83.5 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.603 1.561 . . . . 0.0 110.398 172.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' PRO . 2.2 pt -78.14 -49.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 164.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.463 0.9 OUTLIER -65.94 -50.08 65.67 Favored 'General case' 0 C--N 1.375 1.704 0 O-C-N 120.592 -1.318 . . . . 0.0 112.771 -169.668 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 53.6 m-85 -75.52 -13.16 60.35 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.618 2.008 . . . . 0.0 112.861 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.23 -21.79 10.28 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.5 m -104.81 124.96 50.34 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 119.786 -1.821 . . . . 0.0 110.407 -172.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.96 -19.24 12.14 Favored 'Isoleucine or valine' 0 C--N 1.374 1.634 0 C-N-CA 128.283 2.633 . . . . 0.0 115.916 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.42 -38.03 27.75 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 129.363 3.065 . . . . 0.0 111.301 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.15 -39.75 5.17 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 123.945 0.898 . . . . 0.0 111.599 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 119.863 3.283 . . . . 0.0 119.863 -174.535 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -67.71 -14.33 62.86 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 128.538 2.735 . . . . 0.0 114.24 176.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -116.52 -61.11 1.77 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.427 2.291 . . . . 0.0 115.096 -168.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.647 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 8.4 t -158.83 142.09 10.76 Favored Pre-proline 0 CA--C 1.491 -1.322 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 82.7 Cg_endo -84.88 -37.63 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-N 124.761 2.736 . . . . 0.0 117.775 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.975 0.1 OUTLIER 179.54 -175.55 0.26 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 123.981 3.082 . . . . 0.0 111.746 175.636 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.647 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -43.21 -17.86 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.197 1 C-N-CA 134.545 5.138 . . . . 0.0 117.189 -177.091 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.87 -49.3 53.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.369 2.668 . . . . 0.0 113.6 172.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 31' ' ' VAL . 4.2 t80 -75.18 -49.46 19.39 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 128.038 2.535 . . . . 0.0 107.015 169.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.647 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.8 2.2 pp -61.29 -28.3 69.09 Favored 'General case' 0 C--N 1.37 1.486 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 178.003 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -66.14 -32.99 74.77 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 123.849 3.022 . . . . 0.0 113.809 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -69.23 -48.37 62.11 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 125.395 1.478 . . . . 0.0 112.025 167.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.17 -8.69 59.46 Favored 'General case' 0 C--N 1.368 1.409 0 O-C-N 119.227 -2.171 . . . . 0.0 114.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.19 -13.81 2.53 Favored Glycine 0 C--N 1.356 1.643 0 C-N-CA 127.291 2.377 . . . . 0.0 117.279 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 157.21 32.12 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.232 1.813 . . . . 0.0 112.25 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 m -66.91 59.46 0.04 OUTLIER 'General case' 0 C--N 1.372 1.566 0 C-N-CA 129.644 3.178 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.9 p -72.96 -29.96 63.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 129.991 3.316 . . . . 0.0 117.335 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 5.8 0.97 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.845 2.858 . . . . 0.0 118.062 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -61.46 -44.72 96.6 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 128.756 2.822 . . . . 0.0 115.633 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.7 m -148.51 139.69 23.25 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.894 -1.753 . . . . 0.0 106.415 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -54.04 -46.49 71.92 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 127.49 2.316 . . . . 0.0 112.966 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -64.93 -33.65 76.54 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.581 1.952 . . . . 0.0 115.041 174.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -72.68 -46.67 52.65 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.051 1.74 . . . . 0.0 113.886 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 45' ' ' SER . 3.0 p -66.86 -45.92 86.43 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 O-C-N 120.702 -1.249 . . . . 0.0 111.814 171.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -59.61 -33.97 72.17 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 174.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -67.13 -45.34 77.43 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.138 1.775 . . . . 0.0 113.513 167.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.28 -42.9 99.74 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-O 124.919 2.295 . . . . 0.0 112.062 173.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -62.64 -43.95 97.51 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 112.793 -2.003 . . . . 0.0 114.054 171.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 53' ' ' TRP 1.111 32.7 m -65.38 -31.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 129.273 3.029 . . . . 0.0 116.334 169.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.57 -38.34 90.66 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.009 1.724 . . . . 0.0 111.218 163.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.334 . . -62.37 -44.06 97.34 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.186 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CG ' HG12 ' A' ' 57' ' ' VAL . 29.5 t80 -51.27 -14.2 0.25 Allowed 'General case' 0 CA--C 1.559 1.295 1 C-N-CA 133.197 4.599 . . . . 0.0 115.236 -166.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.12 3.97 82.72 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 119.552 -1.967 . . . . 0.0 116.833 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.31 0.0 OUTLIER -97.39 -52.44 3.8 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.541 2.671 . . . . 0.0 115.965 -178.041 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -89.76 29.97 1.1 Allowed 'General case' 0 N--CA 1.483 1.18 0 O-C-N 118.594 -2.566 . . . . 0.0 113.726 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . 0.27 10.6 tt -95.48 97.9 3.19 Favored Pre-proline 0 CA--C 1.558 1.259 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -89.67 162.53 5.24 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 124.036 3.157 . . . . 0.0 111.677 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -84.35 55.54 4.58 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.308 3.338 . . . . 0.0 112.824 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.06 159.04 2.83 Favored Pre-proline 0 C--N 1.356 0.877 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.17 112.92 1.18 Allowed 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 123.882 3.055 . . . . 0.0 113.174 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -87.06 42.81 0.88 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 124.374 3.382 . . . . 0.0 113.016 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.46 164.56 2.56 Favored Pre-proline 0 C--N 1.356 0.86 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -94.82 93.8 0.11 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.258 3.305 . . . . 0.0 112.114 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.89 160.93 42.47 Favored 'Trans proline' 0 C--N 1.363 1.294 1 C-N-CA 125.637 4.225 . . . . 0.0 115.452 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.22 137.63 32.15 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.561 1.544 . . . . 0.0 111.262 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.1 t -128.77 59.49 1.55 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 125.012 1.325 . . . . 0.0 112.542 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.381 23.4 tp 111.08 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.447 2.699 . . . . 0.0 111.3 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t 60.89 -124.95 0.94 Allowed 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.639 -1.913 . . . . 0.0 115.489 168.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -129.82 24.28 5.35 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.839 2.056 . . . . 0.0 106.898 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -172.73 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 106.101 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -158.73 -48.46 0.06 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.755 0.788 . . . . 0.0 110.202 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.35 0.626 0 O-C-N 120.028 -1.67 . . . . 0.0 110.096 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -77.6 -14.83 82.03 Favored Glycine 0 C--N 1.371 2.508 0 C-N-CA 125.062 1.315 . . . . 0.0 115.48 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.47 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.21 148.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 175.033 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 7' ' ' LEU . 6.3 p-10 -83.65 64.24 7.86 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -172.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.498 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.709 0.3 OUTLIER -78.74 -69.48 0.56 Allowed 'General case' 0 CA--C 1.513 -0.468 1 N-CA-C 122.193 4.145 . . . . 0.0 122.193 161.73 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.309 0.4 OUTLIER -56.95 -47.48 80.6 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 120.785 3.624 . . . . 0.0 120.785 -158.599 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.599 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -63.12 -28.53 72.3 Favored Glycine 0 C--N 1.371 2.511 0 C-N-CA 129.343 3.354 . . . . 0.0 112.383 166.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.9 mp -75.39 -39.08 59.51 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 117.152 -3.558 . . . . 0.0 111.063 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.518 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.323 0.0 OUTLIER -69.29 -42.67 75.17 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.755 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.47 1.0 OUTLIER -82.31 -18.48 42.1 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -101.66 -36.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 125.72 1.608 . . . . 0.0 111.619 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 30.8 m-85 -109.46 -27.99 9.16 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-N 123.721 2.964 . . . . 0.0 113.427 -173.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.02 -96.78 1.5 Allowed Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.619 1.104 . . . . 0.0 115.345 172.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -76.4 -35.51 58.55 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 -171.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -146.52 166.39 26.58 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mp -78.85 149.3 73.78 Favored Pre-proline 0 C--N 1.359 0.984 0 C-N-CA 125.609 1.564 . . . . 0.0 112.247 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 21' ' ' PHE . 73.6 Cg_endo -76.51 177.26 9.04 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.131 3.221 . . . . 0.0 115.284 177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -85.64 158.79 20.0 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 128.267 2.627 . . . . 0.0 110.095 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 p -57.39 -23.3 48.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -47.14 87.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 126.56 1.944 . . . . 0.0 112.842 174.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -41.58 25.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 O-C-N 121.097 -1.002 . . . . 0.0 112.958 164.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' CD1' ' HB1' ' A' ' 27' ' ' ALA 0.442 1.2 t80 -71.33 -46.14 61.31 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -168.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 17.7 m-85 -75.68 -11.31 59.98 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 120.346 1.43 . . . . 0.0 112.402 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.0 10.51 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 m -112.04 130.04 56.01 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.376 -2.078 . . . . 0.0 112.642 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 29' ' ' LYS . 1.6 t -63.62 -3.24 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 1 C-N-CA 134.056 4.942 . . . . 0.0 113.268 177.74 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.03 78.7 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.133 2.173 . . . . 0.0 108.743 167.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -110.19 -34.21 6.44 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.266 3.027 . . . . 0.0 117.754 -177.283 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HB3' HG12 ' A' ' 25' ' ' VAL 0.257 0.0 OUTLIER -70.62 -2.88 15.73 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 128.846 2.858 . . . . 0.0 116.387 -170.051 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 22.4 m-85 -111.99 -49.71 2.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 121.549 0.69 . . . . 0.0 110.656 171.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -155.5 154.74 28.78 Favored Pre-proline 0 CA--C 1.483 -1.617 0 N-CA-C 100.303 -3.962 . . . . 0.0 100.303 176.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 91.7 Cg_endo -81.5 -38.9 0.21 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 N-CA-C 117.322 2.008 . . . . 0.0 117.322 -176.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.737 0.3 OUTLIER 178.81 -175.42 0.2 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.968 2.507 . . . . 0.0 111.625 -178.857 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.608 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.6 m-85 -43.96 -20.28 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.572 4.349 . . . . 0.0 118.455 -179.741 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.41 51.98 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 127.62 2.368 . . . . 0.0 113.95 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 8.5 t80 -75.54 -50.42 15.69 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.351 1.46 . . . . 0.0 107.12 168.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.555 0.6 OUTLIER -60.5 -36.62 78.77 Favored 'General case' 0 C--N 1.376 1.76 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -178.97 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -65.36 -34.1 77.52 Favored 'General case' 0 C--N 1.368 1.407 0 CA-C-N 124.93 3.513 . . . . 0.0 115.514 174.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -69.49 -43.5 73.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.523 1.929 . . . . 0.0 114.34 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -86.38 -20.7 27.86 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -82.71 -6.56 59.45 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 119.737 -1.852 . . . . 0.0 113.972 -178.076 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.71 -13.27 3.14 Favored Glycine 0 C--N 1.358 1.791 0 C-N-CA 127.309 2.385 . . . . 0.0 116.717 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.294 0.9 OUTLIER -129.72 151.09 50.69 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m -87.31 59.49 5.57 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.637 1.975 . . . . 0.0 112.042 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.57 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 p -72.96 -10.04 59.38 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 129.87 3.268 . . . . 0.0 110.819 171.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 5.64 1.22 Allowed 'General case' 0 C--N 1.357 0.915 1 C-N-CA 132.142 4.177 . . . . 0.0 118.309 -169.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -72.52 -35.72 68.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.546 1.938 . . . . 0.0 113.369 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -139.35 145.15 38.67 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 124.784 1.234 . . . . 0.0 109.577 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -66.9 -23.2 65.97 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 125.785 1.634 . . . . 0.0 112.028 175.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.1 mpt_? -73.3 -45.84 53.18 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.536 2.734 . . . . 0.0 113.396 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -72.12 -46.64 55.82 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.943 2.097 . . . . 0.0 113.856 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.283 14.6 p -66.38 -43.77 91.11 Favored 'Isoleucine or valine' 0 C--N 1.383 2.042 0 O-C-N 120.747 -1.221 . . . . 0.0 111.874 177.133 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 57' ' ' VAL 0.363 0.0 OUTLIER -63.27 -33.65 75.96 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 173.927 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.77 -43.82 83.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.028 1.731 . . . . 0.0 114.358 168.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -65.51 -39.4 91.82 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 124.592 2.139 . . . . 0.0 111.685 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -58.44 -50.48 73.55 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 112.681 -2.054 . . . . 0.0 113.621 169.005 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 53' ' ' TRP 1.179 33.7 m -61.49 -31.75 51.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 C-N-CA 128.851 2.86 . . . . 0.0 116.741 171.208 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.42 -42.33 98.72 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.737 2.015 . . . . 0.0 111.819 163.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.332 . . -61.25 -40.22 93.26 Favored 'General case' 0 C--N 1.384 2.071 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CG ' HG12 ' A' ' 57' ' ' VAL . 17.5 t80 -52.59 -14.74 0.55 Allowed 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 130.762 3.625 . . . . 0.0 115.868 -171.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.05 6.04 63.79 Favored Glycine 0 C--N 1.351 1.368 0 C-N-CA 126.71 2.1 . . . . 0.0 115.813 168.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -99.16 -30.6 12.2 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 127.219 2.208 . . . . 0.0 116.52 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.518 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -113.15 21.62 15.14 Favored 'General case' 0 C--N 1.365 1.26 0 O-C-N 119.615 -1.928 . . . . 0.0 111.442 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tt -95.09 126.15 47.71 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 124.88 1.272 . . . . 0.0 111.023 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.5 125.51 5.68 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.375 2.717 . . . . 0.0 110.081 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.76 60.06 7.53 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.608 3.539 . . . . 0.0 112.336 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.85 168.74 7.55 Favored Pre-proline 0 C--N 1.355 0.842 0 C-N-CA 126.764 2.026 . . . . 0.0 105.74 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -80.03 5.76 5.76 Favored 'Trans proline' 0 CA--C 1.561 1.871 0 CA-C-O 111.661 -3.558 . . . . 0.0 119.263 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -86.93 52.13 2.53 Favored 'Trans proline' 0 C--N 1.372 1.785 1 CA-C-N 133.145 5.73 . . . . 0.0 112.908 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.16 42.68 0.74 Allowed Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.1 -1.905 . . . . 0.0 114.874 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -86.3 172.52 7.11 Favored 'Trans proline' 0 CA--C 1.553 1.43 0 CA-C-N 126.358 3.307 . . . . 0.0 111.891 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.34 150.07 17.19 Favored 'Trans proline' 0 CA--C 1.552 1.424 0 C-N-CA 124.239 3.293 . . . . 0.0 112.349 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.7 121.78 45.76 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.44 1.496 . . . . 0.0 107.525 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.0 m -162.81 -52.91 0.04 OUTLIER 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.774 -1.829 . . . . 0.0 107.963 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.26 75.27 6.13 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 122.714 1.245 . . . . 0.0 111.577 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -76.96 55.18 1.08 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.359 2.664 . . . . 0.0 113.452 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.91 -53.48 0.1 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.738 2.815 . . . . 0.0 104.506 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.09 -44.5 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.432 2.693 . . . . 0.0 112.673 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -97.11 -40.34 8.87 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 128.012 2.525 . . . . 0.0 114.559 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 C--N 1.361 1.098 0 O-C-N 120.973 -1.079 . . . . 0.0 113.458 -175.052 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.76 -58.01 0.14 Allowed Glycine 0 C--N 1.365 2.193 0 C-N-CA 129.262 3.315 . . . . 0.0 118.241 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 6.9 mt -118.33 137.52 52.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 127.55 2.34 . . . . 0.0 105.373 177.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.555 ' O ' HD13 ' A' ' 7' ' ' LEU . 36.3 t0 -81.7 68.14 7.95 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -172.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' ' 2' ' ' ILE 0.456 1.3 m-85 -76.63 -66.42 0.81 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 130.588 3.555 . . . . 0.0 119.446 156.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.4 1.6 t -56.85 -41.52 78.05 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.985 3.328 . . . . 0.0 119.985 -161.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.57 -18.98 74.29 Favored Glycine 0 C--N 1.373 2.605 0 O-C-N 118.047 -2.908 . . . . 0.0 112.529 169.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 7' ' ' LEU 0.345 2.1 mp -77.99 -49.53 13.89 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 116.402 -3.999 . . . . 0.0 113.093 176.084 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -69.52 -36.86 76.82 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 170.385 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.557 0.4 OUTLIER -83.98 -25.37 30.06 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.78 -33.04 3.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 CA-C-N 120.192 1.36 . . . . 0.0 111.022 173.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.19 -30.6 5.58 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 122.944 2.611 . . . . 0.0 113.864 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.73 -122.42 5.57 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.53 -25.82 68.15 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 -169.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -143.93 162.13 36.94 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 103.25 -2.87 . . . . 0.0 103.25 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 56' ' ' PHE . 4.1 mt -76.26 146.4 78.02 Favored Pre-proline 0 C--N 1.359 1.015 0 C-N-CA 125.805 1.642 . . . . 0.0 111.242 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.77 -178.2 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 1 C-N-CA 126.668 4.912 . . . . 0.0 118.077 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -86.32 154.25 21.37 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 129.12 2.968 . . . . 0.0 111.46 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.255 0.7 OUTLIER -62.04 -23.9 66.74 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 120.2 3.407 . . . . 0.0 120.2 -174.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -62.64 -46.41 88.37 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 125.882 1.673 . . . . 0.0 111.2 172.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.286 0.1 OUTLIER -77.89 -45.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 167.474 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.321 1.0 OUTLIER -68.57 -50.0 55.14 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 121.672 2.033 . . . . 0.0 111.28 -170.13 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 0.2 OUTLIER -73.65 -17.75 61.11 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 120.874 -1.141 . . . . 0.0 113.584 177.059 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.47 -22.11 9.99 Favored 'General case' 0 C--N 1.382 2.011 0 N-CA-C 120.319 3.451 . . . . 0.0 120.319 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.7 m -103.77 127.94 51.2 Favored 'General case' 0 C--N 1.366 1.325 0 CA-C-N 122.104 2.229 . . . . 0.0 112.473 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 t -56.08 -20.93 10.39 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 130.497 3.519 . . . . 0.0 115.712 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.34 50.89 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.901 2.48 . . . . 0.0 111.574 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.51 -40.5 4.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.8 -0.562 . . . . 0.0 111.457 166.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -53.57 -18.49 2.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 119.822 3.267 . . . . 0.0 119.822 -176.196 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -68.99 -17.07 63.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.445 2.698 . . . . 0.0 114.478 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.42 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 3.2 m-30 -111.45 -59.46 1.98 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.474 2.71 . . . . 0.0 113.766 -170.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 m -158.87 156.99 27.91 Favored Pre-proline 0 CA--C 1.485 -1.53 0 N-CA-C 100.762 -3.792 . . . . 0.0 100.762 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 60.1 Cg_endo -88.1 -39.03 0.06 OUTLIER 'Trans proline' 0 CA--C 1.552 1.392 0 N-CA-C 121.685 3.687 . . . . 0.0 121.685 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.906 0.1 OUTLIER 178.67 -174.82 0.18 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 124.439 3.291 . . . . 0.0 113.24 -177.145 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.534 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 13.5 m-85 -43.39 -26.29 0.19 Allowed 'General case' 0 N--CA 1.503 2.176 1 C-N-CA 132.155 4.182 . . . . 0.0 118.193 -176.176 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 38' ' ' ARG . . . -67.32 -44.66 78.59 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.622 2.769 . . . . 0.0 114.329 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -72.77 -41.3 65.21 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.007 2.523 . . . . 0.0 107.027 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 7.3 mt -59.84 -42.23 93.14 Favored 'General case' 0 C--N 1.373 1.597 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 35' ' ' ALA . 88.8 mtm180 -64.01 -42.64 97.09 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 176.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -68.84 -34.84 76.15 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.747 2.419 . . . . 0.0 113.488 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -73.15 -46.16 52.53 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.534 1.934 . . . . 0.0 114.252 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.6 mt -100.82 -8.87 22.22 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 117.406 -1.718 . . . . 0.0 113.878 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.11 31.85 59.15 Favored Glycine 0 C--N 1.366 2.213 0 C-N-CA 125.642 1.591 . . . . 0.0 112.324 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 45' ' ' SER . 12.2 tp -100.61 145.29 28.57 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -162.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 p -111.45 10.33 21.4 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.821 2.448 . . . . 0.0 112.521 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -73.36 -9.56 58.82 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 130.321 3.448 . . . . 0.0 114.185 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 4.78 1.48 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.466 4.306 . . . . 0.0 116.6 -174.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -76.93 -23.08 52.47 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.543 2.737 . . . . 0.0 112.907 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.7 m -148.46 142.55 25.97 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.427 -2.046 . . . . 0.0 108.677 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -57.38 -51.03 71.07 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.203 1.801 . . . . 0.0 113.175 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.302 9.2 mpt_? -61.93 -33.19 73.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.933 2.093 . . . . 0.0 115.778 174.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.75 -47.22 48.71 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.127 1.771 . . . . 0.0 114.084 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.263 2.2 p -70.08 -39.24 76.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 120.315 -1.49 . . . . 0.0 111.154 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -65.05 -34.5 78.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 170.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -67.48 -44.37 78.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.944 2.097 . . . . 0.0 113.98 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -67.36 -37.63 83.53 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.888 1.804 . . . . 0.0 111.435 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.511 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 m-85 -63.4 -42.49 98.79 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 113.972 -1.467 . . . . 0.0 114.175 169.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.133 31.4 m -65.95 -31.81 55.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 129.706 3.202 . . . . 0.0 115.523 172.04 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.51 -40.1 96.16 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.657 1.983 . . . . 0.0 111.353 162.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.334 . . -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 170.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CG ' HG12 ' A' ' 57' ' ' VAL . 12.1 t80 -51.57 -15.08 0.39 Allowed 'General case' 0 CA--C 1.555 1.152 1 C-N-CA 133.283 4.633 . . . . 0.0 114.767 -167.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 2.33 87.16 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.469 1.985 . . . . 0.0 117.244 165.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.325 0.1 OUTLIER -95.33 -52.28 4.23 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 121.373 2.586 . . . . 0.0 116.207 -178.318 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.572 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -93.03 29.39 1.86 Allowed 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.234 -2.167 . . . . 0.0 113.318 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 tp -73.51 105.69 1.84 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 130.376 3.471 . . . . 0.0 112.148 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -93.4 167.84 2.28 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 122.877 2.385 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.324 3.349 . . . . 0.0 111.862 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.78 84.13 2.49 Favored Pre-proline 0 C--N 1.353 0.745 0 CA-C-N 119.336 0.971 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -87.62 130.82 2.79 Favored 'Trans proline' 0 CA--C 1.556 1.617 0 C-N-CA 124.004 3.136 . . . . 0.0 110.689 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.04 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.742 3.628 . . . . 0.0 113.173 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . . . -160.45 -57.81 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.322 -1.799 . . . . 0.0 108.988 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD3' ' HB3' ' A' ' 70' ' ' ALA . 8.6 Cg_exo -73.42 134.1 20.16 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 124.275 3.317 . . . . 0.0 109.011 169.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.35 146.72 40.51 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.337 3.358 . . . . 0.0 117.73 -168.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.45 112.48 18.59 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.173 1.389 . . . . 0.0 112.956 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.438 1.8 t 71.03 26.17 3.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.438 3.095 . . . . 0.0 117.457 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.36 45.24 0.0 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 131.619 3.968 . . . . 0.0 119.39 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -155.45 -24.12 0.11 Allowed 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.886 -1.759 . . . . 0.0 112.586 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -107.11 105.55 15.61 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.131 2.172 . . . . 0.0 109.405 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 ' H ' ' CE1' ' A' ' 80' ' ' HIS . 1.2 tm? 97.3 -46.13 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 129.002 2.921 . . . . 0.0 105.528 -172.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.72 53.86 2.68 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.216 3.406 . . . . 0.0 110.79 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.623 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.5 m-70 . . . . . 0 C--N 1.356 0.866 0 C-N-CA 127.325 2.25 . . . . 0.0 113.844 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -96.32 2.18 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 128.898 3.142 . . . . 0.0 114.807 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.75 150.88 25.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 129.806 3.242 . . . . 0.0 103.676 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 7' ' ' LEU . 31.0 t0 -82.96 66.36 8.54 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 119.944 -1.723 . . . . 0.0 115.498 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.658 1.6 m-85 -78.14 -65.9 0.92 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 155.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -56.12 -47.02 78.92 Favored 'General case' 0 C--N 1.381 1.978 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -163.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.03 -32.92 56.91 Favored Glycine 0 C--N 1.37 2.449 0 C-N-CA 127.198 2.333 . . . . 0.0 116.445 164.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.5 mp -76.09 -44.87 36.77 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.19 -2.359 . . . . 0.0 110.555 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.519 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.357 0.0 OUTLIER -69.43 -38.47 77.86 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 171.945 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.307 0.6 OUTLIER -82.22 -28.78 31.75 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 178.365 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -93.58 -36.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 119.528 1.058 . . . . 0.0 111.741 171.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 10.0 m-85 -110.07 -30.9 7.56 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 123.868 3.031 . . . . 0.0 112.956 -171.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.47 -108.52 3.69 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 124.318 0.961 . . . . 0.0 115.483 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -37.35 78.91 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -169.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -142.78 154.31 44.1 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 7' ' ' LEU 0.305 0.0 OUTLIER -92.84 150.2 39.08 Favored Pre-proline 0 N--CA 1.439 -0.988 0 C-N-CA 125.917 1.687 . . . . 0.0 109.988 177.685 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 89.2 Cg_endo -78.53 -178.37 4.59 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 125.068 3.846 . . . . 0.0 120.162 -167.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -88.28 152.6 21.84 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.441 3.896 . . . . 0.0 109.172 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -51.63 -23.02 3.81 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 121.125 3.75 . . . . 0.0 121.125 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -66.31 -47.87 72.16 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.354 1.862 . . . . 0.0 112.349 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 16' ' ' PRO 0.3 6.8 pt -78.98 -35.05 17.27 Favored 'Isoleucine or valine' 0 C--N 1.374 1.63 0 O-C-N 120.53 -1.356 . . . . 0.0 113.29 163.638 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.384 0.8 OUTLIER -70.98 -51.87 23.05 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.025 -171.672 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 21.2 m-85 -75.17 -16.63 60.49 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 123.512 2.869 . . . . 0.0 112.695 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.46 -20.66 11.69 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 119.387 3.106 . . . . 0.0 119.387 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -96.22 134.0 39.87 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 121.735 2.061 . . . . 0.0 110.413 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 t -58.32 -30.04 39.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 C-N-CA 127.492 2.317 . . . . 0.0 115.429 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.19 -33.3 12.07 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.999 3.72 . . . . 0.0 112.595 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -108.72 -39.35 5.39 Favored 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 127.126 2.171 . . . . 0.0 112.313 172.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -53.26 -35.53 60.13 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.77 66.02 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.702 2.401 . . . . 0.0 115.876 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -96.13 -74.03 0.57 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 130.581 3.552 . . . . 0.0 114.91 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.5 m -151.78 148.03 21.08 Favored Pre-proline 0 CA--C 1.481 -1.699 1 N-CA-C 100.119 -4.03 . . . . 0.0 100.119 177.029 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.8 -37.34 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.273 0 N-CA-C 118.087 2.303 . . . . 0.0 118.087 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.826 0.3 OUTLIER -179.28 -175.13 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 CA-C-N 122.36 2.346 . . . . 0.0 113.752 -179.879 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.546 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 39.4 m-85 -43.71 -23.31 0.07 Allowed 'General case' 0 C--N 1.379 1.891 1 C-N-CA 133.075 4.55 . . . . 0.0 116.913 -176.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.43 65.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 129.485 3.114 . . . . 0.0 114.813 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 18.5 t80 -74.7 -50.71 16.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.632 1.573 . . . . 0.0 107.065 172.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.422 0.4 OUTLIER -62.4 -31.25 71.9 Favored 'General case' 0 C--N 1.367 1.369 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.311 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.58 -40.69 66.41 Favored 'General case' 0 C--N 1.375 1.712 0 O-C-N 119.895 -1.753 . . . . 0.0 113.231 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.427 1.891 . . . . 0.0 113.362 172.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -74.27 -42.91 58.85 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.504 1.922 . . . . 0.0 113.69 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.1 mt -93.28 -9.06 40.35 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 118.228 -1.389 . . . . 0.0 113.817 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.37 63.94 Favored Glycine 0 C--N 1.37 2.432 0 C-N-CA 125.142 1.353 . . . . 0.0 113.175 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.36 152.01 22.08 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 p -110.49 19.69 18.49 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -9.83 59.14 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 129.677 3.191 . . . . 0.0 113.936 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 5.35 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 130.461 3.504 . . . . 0.0 116.964 -174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -76.83 -42.45 40.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 129.065 2.946 . . . . 0.0 112.658 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 p -136.03 145.47 46.08 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 124.172 0.989 . . . . 0.0 108.665 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 15.7 t30 -69.88 -20.61 63.38 Favored 'General case' 0 C--N 1.38 1.905 0 O-C-N 119.909 -1.744 . . . . 0.0 113.579 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.692 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -72.58 -43.7 63.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 129.227 3.011 . . . . 0.0 111.726 175.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.46 -45.86 57.57 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.793 2.037 . . . . 0.0 114.547 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.383 9.9 p -65.74 -46.7 88.29 Favored 'Isoleucine or valine' 0 C--N 1.395 2.568 0 O-C-N 119.756 -1.84 . . . . 0.0 110.879 173.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.41 0.0 OUTLIER -61.21 -35.31 76.86 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 119.83 1.195 . . . . 0.0 113.575 175.313 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -63.23 -46.02 88.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.758 1.617 . . . . 0.0 115.145 167.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -66.5 -36.5 82.89 Favored 'General case' 0 C--N 1.375 1.714 0 CA-C-N 122.519 2.418 . . . . 0.0 113.474 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -63.66 -52.16 61.96 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 113.547 -1.66 . . . . 0.0 114.765 173.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.059 4.5 m -63.39 -31.94 54.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 C-N-CA 127.219 2.208 . . . . 0.0 115.886 169.377 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.331 1.852 . . . . 0.0 111.797 164.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.348 . . -61.52 -45.9 92.26 Favored 'General case' 0 C--N 1.386 2.171 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 168.766 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.665 ' CG ' HG12 ' A' ' 57' ' ' VAL . 6.1 t80 -50.13 -14.42 0.15 Allowed 'General case' 0 CA--C 1.575 1.94 0 C-N-CA 129.518 3.127 . . . . 0.0 115.318 -166.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.67 6.04 83.27 Favored Glycine 0 C--N 1.359 1.815 0 O-C-N 119.267 -2.146 . . . . 0.0 118.014 164.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HZ3' ' H ' ' A' ' 63' ' ' ALA 0.356 0.0 OUTLIER -94.54 -36.67 11.73 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 121.342 2.571 . . . . 0.0 116.61 -179.731 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.611 ' H ' ' HZ3' ' A' ' 62' ' ' LYS . . . -115.06 29.0 8.33 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.544 -1.348 . . . . 0.0 113.991 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 tt -106.36 95.74 12.2 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.344 1.858 . . . . 0.0 110.187 175.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -86.78 163.25 9.12 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.552 2.834 . . . . 0.0 111.797 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.92 56.92 6.2 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.684 3.59 . . . . 0.0 111.425 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.03 -42.46 0.03 OUTLIER Pre-proline 0 C--N 1.353 0.73 0 CA-C-O 115.558 -2.163 . . . . 0.0 116.529 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.79 156.17 20.8 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 CA-C-N 126.899 3.5 . . . . 0.0 113.48 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.12 2.37 4.61 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 124.766 3.644 . . . . 0.0 114.611 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.412 . . 108.29 -69.82 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.106 0 C-N-CA 129.003 2.921 . . . . 0.0 114.594 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.07 158.81 30.5 Favored 'Trans proline' 0 CA--C 1.552 1.381 0 CA-C-N 126.81 3.468 . . . . 0.0 113.018 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -82.89 161.31 16.05 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 124.909 3.739 . . . . 0.0 113.413 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.61 147.24 27.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.903 2.081 . . . . 0.0 108.822 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -64.33 -20.94 66.43 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 129.516 3.127 . . . . 0.0 116.05 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.24 -12.88 20.0 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.852 2.461 . . . . 0.0 110.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.258 10.4 m 51.83 -105.12 0.2 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 121.411 3.856 . . . . 0.0 121.411 173.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -137.59 -6.5 1.73 Allowed 'General case' 0 C--N 1.361 1.097 0 C-N-CA 124.382 1.073 . . . . 0.0 111.618 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.23 -43.86 8.61 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.639 1.576 . . . . 0.0 108.69 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -94.73 -48.91 5.85 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.507 1.923 . . . . 0.0 106.954 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.9 t60 . . . . . 0 C--N 1.358 0.977 0 C-N-CA 129.889 3.276 . . . . 0.0 116.744 172.821 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.434 -1.258 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -69.15 -21.47 75.64 Favored Glycine 0 C--N 1.366 2.24 0 C-N-CA 126.278 1.894 . . . . 0.0 116.221 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 4.2 mt -121.11 135.92 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.768 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 171.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 7' ' ' LEU . 36.3 t0 -81.87 67.83 8.01 Favored 'General case' 0 CA--C 1.485 -1.526 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.349 2.8 m-85 -76.51 -58.28 3.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 156.128 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 9' ' ' THR 0.367 0.3 OUTLIER -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 -162.029 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.68 -27.21 54.86 Favored Glycine 0 C--N 1.393 3.734 0 CA-C-N 123.378 2.808 . . . . 0.0 114.562 165.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.8 mp -75.87 -51.4 12.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.533 -2.745 . . . . 0.0 111.283 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.269 0.2 OUTLIER -69.73 -32.84 71.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.776 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 5' ' ' SER 0.42 1.0 OUTLIER -83.54 -31.93 26.13 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 178.9 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -33.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 C-N-CA 125.202 1.401 . . . . 0.0 111.723 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 2.8 m-85 -116.99 -30.73 5.61 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 123.716 2.962 . . . . 0.0 114.127 -171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.09 -127.9 7.62 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 117.63 1.812 . . . . 0.0 117.63 166.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.24 -54.58 44.07 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 119.684 3.216 . . . . 0.0 119.684 -169.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.93 175.2 5.58 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 7' ' ' LEU . 14.6 mt -85.46 143.75 39.3 Favored Pre-proline 0 C--N 1.351 0.673 0 O-C-N 120.087 -1.633 . . . . 0.0 112.357 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.35 165.3 33.06 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 125.028 3.819 . . . . 0.0 112.743 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -88.51 165.83 14.6 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.231 1.412 . . . . 0.0 112.876 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.297 5.1 p -54.26 -23.27 14.23 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 121.0 3.704 . . . . 0.0 121.0 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -47.41 86.56 Favored 'General case' 0 C--N 1.376 1.717 0 C-N-CA 126.223 1.809 . . . . 0.0 111.869 173.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.285 0.1 OUTLIER -79.26 -44.73 24.11 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 162.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 7' ' ' LEU 0.373 0.8 OUTLIER -64.92 -53.77 41.23 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 119.382 0.992 . . . . 0.0 112.757 -167.399 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 9.4 m-85 -71.78 -21.57 61.7 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.961 1.704 . . . . 0.0 112.653 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.48 -21.16 11.48 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 119.616 3.191 . . . . 0.0 119.616 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -103.92 126.08 50.79 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 119.693 -1.879 . . . . 0.0 110.665 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 29' ' ' LYS . 5.4 t -54.09 -23.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 130.17 3.388 . . . . 0.0 115.035 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.49 -37.52 26.68 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 129.986 3.315 . . . . 0.0 111.237 169.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.95 -40.27 4.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.169 -0.957 . . . . 0.0 112.108 164.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . 0.324 6.0 t60 -56.37 -18.07 9.85 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 118.502 -2.624 . . . . 0.0 118.008 -175.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB3' HG12 ' A' ' 25' ' ' VAL . 3.4 ptmt -61.27 -20.52 62.97 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.332 2.253 . . . . 0.0 115.091 173.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -108.72 -62.92 1.4 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 129.147 2.979 . . . . 0.0 113.706 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CG ' ' A' ' 36' ' ' PHE . 43.4 t -158.8 138.86 8.81 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 129.171 2.988 . . . . 0.0 103.435 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.5 Cg_endo -83.77 -38.51 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 CA-C-N 127.818 3.828 . . . . 0.0 119.222 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.831 0.5 OUTLIER -178.98 -176.03 0.42 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 124.682 3.401 . . . . 0.0 112.8 -175.695 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 4.0 m-85 -43.64 -23.99 0.1 Allowed 'General case' 0 C--N 1.38 1.91 1 C-N-CA 132.585 4.354 . . . . 0.0 117.622 -172.09 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.47 72.56 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 129.276 3.031 . . . . 0.0 114.589 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CG ' HG13 ' A' ' 31' ' ' VAL . 6.8 t80 -75.0 -40.49 60.64 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.694 1.598 . . . . 0.0 106.778 169.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.3 mt -60.4 -44.76 95.37 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 118.514 2.783 . . . . 0.0 118.514 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -72.78 -40.88 65.57 Favored 'General case' 0 C--N 1.378 1.84 0 O-C-N 120.249 -1.532 . . . . 0.0 113.915 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -68.87 -34.41 75.4 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 128.361 2.664 . . . . 0.0 113.878 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -84.68 -38.3 19.94 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 120.921 -1.112 . . . . 0.0 113.895 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.66 -8.7 34.03 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 121.866 2.121 . . . . 0.0 113.937 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.21 63.7 Favored Glycine 0 C--N 1.372 2.532 0 C-N-CA 125.369 1.461 . . . . 0.0 113.509 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -92.99 146.75 23.38 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -169.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 p -99.66 13.83 32.2 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 129.843 3.257 . . . . 0.0 110.727 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' HB3' ' HA ' ' A' ' 52' ' ' VAL 0.319 1.4 m -70.0 -6.63 34.75 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 131.233 3.813 . . . . 0.0 114.47 176.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.55 4.18 1.13 Allowed 'General case' 0 C--N 1.358 0.965 1 C-N-CA 133.352 4.661 . . . . 0.0 117.399 -172.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.55 -51.23 8.47 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.264 2.225 . . . . 0.0 113.763 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.5 p -137.37 152.27 49.5 Favored 'General case' 0 C--N 1.365 1.241 0 CA-C-O 123.565 1.65 . . . . 0.0 110.694 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -57.0 -40.77 77.21 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 127.349 2.259 . . . . 0.0 112.882 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.316 11.9 mmm180 -70.7 -33.26 70.69 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -72.39 -46.06 56.94 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.737 1.615 . . . . 0.0 113.461 172.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 45' ' ' SER 0.291 8.9 p -66.94 -45.76 86.52 Favored 'Isoleucine or valine' 0 C--N 1.391 2.379 0 O-C-N 119.902 -1.749 . . . . 0.0 111.736 173.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.79 -33.73 70.67 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.107 1.363 . . . . 0.0 114.405 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -67.51 -43.71 80.2 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.125 1.77 . . . . 0.0 114.19 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -63.11 -41.21 99.32 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 124.871 2.272 . . . . 0.0 111.843 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.725 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.72 -46.85 87.89 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.63 172.335 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 53' ' ' TRP 1.027 27.6 m -66.29 -31.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.346 3.058 . . . . 0.0 115.734 170.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.15 -39.18 91.74 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.946 1.698 . . . . 0.0 111.182 163.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.327 . . -65.32 -41.66 93.77 Favored 'General case' 0 C--N 1.38 1.91 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 169.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.638 ' CG ' HG12 ' A' ' 57' ' ' VAL . 7.6 t80 -51.95 -14.98 0.45 Allowed 'General case' 0 CA--C 1.581 2.169 0 C-N-CA 131.27 3.828 . . . . 0.0 113.761 -169.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.38 6.21 80.75 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 118.345 -2.722 . . . . 0.0 117.438 165.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.322 0.0 OUTLIER -97.73 -52.1 3.86 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 127.275 2.23 . . . . 0.0 115.527 -178.28 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -92.0 29.2 1.65 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.359 -2.088 . . . . 0.0 114.142 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -101.2 92.69 2.67 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 126.084 1.754 . . . . 0.0 114.242 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 169.14 9.39 Favored 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 123.524 2.816 . . . . 0.0 111.596 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.78 62.63 7.9 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.369 3.38 . . . . 0.0 111.025 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.4 135.49 20.63 Favored Pre-proline 0 C--N 1.356 0.87 0 C-N-CA 127.455 2.302 . . . . 0.0 110.602 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -81.45 174.6 10.4 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 124.079 3.186 . . . . 0.0 112.356 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -64.62 54.82 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.213 1 C-N-CA 125.598 4.199 . . . . 0.0 117.581 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.93 -42.1 0.6 Allowed Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 129.606 3.163 . . . . 0.0 112.132 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.63 -40.75 44.12 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 C-N-CA 124.543 3.495 . . . . 0.0 117.252 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.9 161.36 27.06 Favored 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-N 127.29 3.639 . . . . 0.0 113.656 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.3 103.11 14.51 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.8 t -170.12 169.2 8.04 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 tp -149.36 109.78 4.2 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.0 m -112.68 -54.06 2.66 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 121.836 -0.54 . . . . 0.0 110.923 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -50.64 -47.53 58.44 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.1 mt -111.62 49.13 0.91 Allowed 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.754 1.622 . . . . 0.0 108.956 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -157.4 -51.26 0.07 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.124 -0.985 . . . . 0.0 110.64 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.364 1.199 0 C-N-CA 128.396 2.678 . . . . 0.0 111.393 -177.712 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -74.04 -19.21 79.8 Favored Glycine 0 C--N 1.364 2.115 0 C-N-CA 127.2 2.333 . . . . 0.0 116.253 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -123.71 149.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 172.005 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 7' ' ' LEU 0.28 9.8 p-10 -88.78 63.56 6.91 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 178.252 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.565 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.699 1.9 m-85 -78.69 -67.62 0.73 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 128.146 2.578 . . . . 0.0 117.952 156.205 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 47.5 m -55.82 -43.77 77.25 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 129.683 3.193 . . . . 0.0 118.413 -163.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.64 -30.65 76.69 Favored Glycine 0 C--N 1.37 2.457 0 O-C-N 118.162 -2.836 . . . . 0.0 115.22 167.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 3' ' ' ASP . 2.5 mp -75.58 -41.31 54.96 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 118.697 -2.649 . . . . 0.0 109.429 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.565 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.324 0.0 OUTLIER -69.33 -41.18 77.01 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 169.316 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.5 OUTLIER -82.33 -23.33 35.16 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.57 -38.52 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.324 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 11.9 m-85 -107.19 -29.53 9.29 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 124.042 3.11 . . . . 0.0 114.206 -170.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.75 -97.27 1.42 Allowed Glycine 0 C--N 1.355 1.631 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -78.83 -33.65 45.87 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -144.14 162.58 35.94 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HD22 ' A' ' 7' ' ' LEU . 4.9 mp -82.93 149.19 58.91 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.987 2.115 . . . . 0.0 112.739 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 7' ' ' LEU . 93.2 Cg_endo -74.92 -178.94 4.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 1 C-N-CA 125.616 4.211 . . . . 0.0 116.222 175.452 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -94.77 164.99 12.71 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 129.036 2.935 . . . . 0.0 109.634 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.4 p -57.44 -26.39 61.12 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.58 82.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 126.385 1.874 . . . . 0.0 113.667 176.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -42.3 22.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 124.775 1.23 . . . . 0.0 113.248 164.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.543 3.7 t80 -70.59 -42.52 70.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -165.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.327 56.0 m-85 -75.75 -21.96 56.95 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.547 1.521 . . . . 0.0 111.332 170.023 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.39 -21.87 10.68 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -175.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.1 m -106.27 122.69 46.75 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.581 -1.949 . . . . 0.0 109.991 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 29' ' ' LYS . 1.6 t -46.35 -29.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 130.692 3.597 . . . . 0.0 115.83 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -43.58 44.32 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 129.917 3.287 . . . . 0.0 112.84 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.3 -39.39 5.24 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 121.314 -0.866 . . . . 0.0 111.91 167.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -54.64 -18.71 4.86 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.974 2.909 . . . . 0.0 118.177 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.62 -18.13 65.2 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 126.608 1.963 . . . . 0.0 114.732 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.07 -75.83 0.52 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.139 3.376 . . . . 0.0 115.26 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' CG ' ' A' ' 36' ' ' PHE 0.257 41.4 t -149.3 139.69 13.57 Favored Pre-proline 0 CA--C 1.498 -1.036 1 N-CA-C 100.166 -4.013 . . . . 0.0 100.166 179.228 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 71.5 Cg_endo -82.32 -38.0 0.2 Allowed 'Trans proline' 0 N--CA 1.443 -1.46 0 CA-C-N 124.579 2.671 . . . . 0.0 117.307 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.506 0.4 OUTLIER -178.06 -177.95 0.64 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-N 124.533 3.333 . . . . 0.0 109.641 -174.906 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.9 m-85 -44.46 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.376 1.76 1 C-N-CA 134.06 4.944 . . . . 0.0 117.882 -174.481 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.68 39.7 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 129.505 3.122 . . . . 0.0 114.529 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CG ' HG13 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -75.5 -45.73 36.48 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.607 1.563 . . . . 0.0 106.991 170.636 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.587 0.5 OUTLIER -63.06 -29.55 70.9 Favored 'General case' 0 C--N 1.378 1.821 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 179.459 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -69.64 -37.53 76.81 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 122.086 2.221 . . . . 0.0 113.234 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -69.38 -35.59 75.96 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.302 1.841 . . . . 0.0 113.635 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.84 -38.22 67.18 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.174 1.789 . . . . 0.0 113.809 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.68 -9.55 53.82 Favored 'General case' 0 C--N 1.372 1.568 0 O-C-N 120.048 -1.657 . . . . 0.0 114.354 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 -13.18 2.54 Favored Glycine 0 C--N 1.359 1.813 0 C-N-CA 126.442 1.972 . . . . 0.0 116.257 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.91 142.33 43.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.456 2.302 . . . . 0.0 113.104 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -85.69 52.48 2.48 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.615 1.566 . . . . 0.0 114.91 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -73.31 -17.9 61.25 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.982 2.113 . . . . 0.0 112.286 172.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.77 -4.77 21.36 Favored 'General case' 0 C--N 1.375 1.679 0 N-CA-C 119.655 3.206 . . . . 0.0 119.655 -167.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -66.17 -17.38 64.68 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 129.915 3.286 . . . . 0.0 115.355 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -146.63 127.25 14.22 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.823 -1.798 . . . . 0.0 107.153 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -61.73 -36.3 80.57 Favored 'General case' 0 C--N 1.374 1.658 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 17.4 mmt180 -73.15 -34.99 66.39 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -73.36 -46.75 47.3 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-N 120.107 1.321 . . . . 0.0 114.474 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.61 -44.81 93.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 O-C-N 120.179 -1.576 . . . . 0.0 111.689 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.694 ' O ' HG22 ' A' ' 57' ' ' VAL 0.444 0.0 OUTLIER -61.74 -33.54 74.24 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.074 1.35 . . . . 0.0 113.149 174.408 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -67.16 -44.25 80.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.935 1.694 . . . . 0.0 114.597 168.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.73 -38.77 92.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 125.494 2.569 . . . . 0.0 111.162 172.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -60.76 -52.2 66.09 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.583 170.457 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 53' ' ' TRP 1.15 34.9 m -59.65 -31.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 128.464 2.706 . . . . 0.0 116.591 170.128 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.07 -43.97 98.08 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 126.801 2.04 . . . . 0.0 111.777 162.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.331 . . -61.86 -37.67 85.39 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 166.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.621 ' CG ' HG12 ' A' ' 57' ' ' VAL . 10.6 t80 -52.38 -14.59 0.49 Allowed 'General case' 0 CA--C 1.577 1.989 0 C-N-CA 129.203 3.001 . . . . 0.0 115.963 -171.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.24 6.15 61.41 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 127.328 2.394 . . . . 0.0 116.293 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.69 -46.29 7.64 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.856 2.462 . . . . 0.0 114.49 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.05 29.3 6.46 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.813 -1.805 . . . . 0.0 114.645 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 tt -104.22 61.63 0.09 OUTLIER Pre-proline 0 CA--C 1.568 1.662 0 N-CA-C 119.401 3.111 . . . . 0.0 119.401 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.05 162.41 13.63 Favored 'Trans proline' 0 CA--C 1.559 1.735 0 O-C-N 114.144 -3.661 . . . . 0.0 111.49 172.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -82.53 36.83 0.64 Allowed 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 124.241 3.294 . . . . 0.0 114.909 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.13 -48.92 0.03 OUTLIER Pre-proline 0 C--N 1.354 0.804 0 CA-C-O 116.648 -1.644 . . . . 0.0 114.439 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.16 -20.99 67.84 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 124.717 3.611 . . . . 0.0 120.82 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.01 78.41 0.58 Allowed 'Trans proline' 0 C--N 1.369 1.633 1 CA-C-N 129.718 4.507 . . . . 0.0 115.867 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.34 -44.75 0.84 Allowed Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 127.8 2.44 . . . . 0.0 115.614 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.47 -38.31 95.59 Favored 'Trans proline' 0 C--N 1.371 1.744 1 C-N-CA 125.558 4.172 . . . . 0.0 117.842 171.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.42 162.37 30.92 Favored 'Trans proline' 0 CA--C 1.56 1.818 1 C-N-CA 126.838 5.025 . . . . 0.0 113.25 171.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.12 135.23 49.01 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.909 1.683 . . . . 0.0 107.523 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.1 m -3.27 101.5 0.01 OUTLIER 'General case' 0 C--N 1.366 1.313 1 C-N-CA 134.063 4.945 . . . . 0.0 121.391 177.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.6 mt -105.89 -14.25 15.26 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.127 0.971 . . . . 0.0 113.256 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 m 175.69 70.41 0.01 OUTLIER 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.755 2.022 . . . . 0.0 106.721 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 86.16 -70.17 0.02 OUTLIER 'General case' 0 C--N 1.37 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 109.595 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.07 -63.11 1.39 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 128.857 2.863 . . . . 0.0 103.984 170.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.381 0.2 OUTLIER -153.34 -19.41 0.15 Allowed 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 119.122 -2.236 . . . . 0.0 113.24 169.68 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t60 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 100.754 -3.795 . . . . 0.0 100.754 171.005 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.439 -1.01 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -75.42 -13.99 82.38 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 124.715 1.15 . . . . 0.0 115.702 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.08 133.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 125.011 1.324 . . . . 0.0 107.512 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' O ' HD13 ' A' ' 7' ' ' LEU . 25.6 t0 -85.45 67.04 9.98 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.58 0.4 OUTLIER -76.92 -64.78 1.05 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.751 3.22 . . . . 0.0 118.393 156.546 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' THR 0.382 1.5 t -56.56 -47.4 79.57 Favored 'General case' 0 C--N 1.386 2.184 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 -164.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.73 62.7 Favored Glycine 0 C--N 1.373 2.59 0 CA-C-N 124.582 3.356 . . . . 0.0 117.313 172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD12 ' H ' ' A' ' 7' ' ' LEU 0.337 1.0 OUTLIER -77.06 -49.26 15.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 129.568 3.147 . . . . 0.0 110.444 178.676 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.359 1.7 ptt85 -69.64 -38.16 77.07 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 117.67 2.47 . . . . 0.0 117.67 168.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 5' ' ' SER 0.396 0.9 OUTLIER -82.3 -25.51 33.89 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 177.699 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG22 ' CE1' ' A' ' 11' ' ' PHE . 4.8 mp -101.63 -33.45 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 CA-C-N 121.12 1.782 . . . . 0.0 112.419 171.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' CE1' HG22 ' A' ' 10' ' ' ILE . 19.5 m-85 -115.09 -30.48 6.34 Favored 'General case' 0 C--N 1.385 2.114 0 O-C-N 118.501 -2.624 . . . . 0.0 114.954 -166.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.61 -137.02 9.39 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 119.113 2.405 . . . . 0.0 119.113 168.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.49 -25.11 67.33 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -145.86 170.52 16.41 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 HD22 ' A' ' 7' ' ' LEU . 2.7 mp -75.99 151.51 84.13 Favored Pre-proline 0 C--N 1.355 0.821 0 CA-C-N 120.024 1.284 . . . . 0.0 113.235 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' CB ' HD11 ' A' ' 20' ' ' ILE . 10.2 Cg_endo -86.81 -178.27 2.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.771 3.648 . . . . 0.0 112.794 -178.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.4 mp0 -71.08 156.3 39.77 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 127.853 2.461 . . . . 0.0 114.925 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.353 2.0 p -61.9 -24.63 67.07 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 2.6 p-80 -61.36 -46.19 91.23 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 126.497 1.919 . . . . 0.0 111.766 174.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 ' CB ' ' A' ' 16' ' ' PRO 0.275 12.7 pt -77.76 -43.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 165.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' CE2' ' OD1' ' A' ' 3' ' ' ASP 0.322 1.1 t80 -63.77 -50.17 70.07 Favored 'General case' 0 C--N 1.376 1.748 0 CA-C-N 121.548 1.976 . . . . 0.0 113.36 -176.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 4.5 m-85 -74.78 -19.22 60.29 Favored 'General case' 0 C--N 1.368 1.387 0 O-C-N 119.922 -1.736 . . . . 0.0 113.567 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.76 -21.04 11.41 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 m -100.41 124.16 45.56 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 121.623 2.01 . . . . 0.0 112.33 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -46.82 -35.07 2.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 1 C-N-CA 131.825 4.05 . . . . 0.0 114.26 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.28 -34.94 16.51 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 129.712 3.205 . . . . 0.0 112.552 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.8 -39.78 5.24 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.786 167.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . 0.292 8.2 t-160 -62.04 -17.96 59.08 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 119.69 3.219 . . . . 0.0 119.69 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -59.84 -22.28 62.04 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.9 2.48 . . . . 0.0 114.54 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -103.2 -66.43 0.94 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 131.246 3.818 . . . . 0.0 114.576 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 36' ' ' PHE . 1.2 m -155.74 156.42 30.65 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 176.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -83.92 -40.44 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 N-CA-C 121.963 3.794 . . . . 0.0 121.963 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 1.002 0.3 OUTLIER 177.23 -173.62 0.11 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.697 1.999 . . . . 0.0 111.349 -175.429 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 m-85 -43.4 -20.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 1 C-N-CA 132.012 4.125 . . . . 0.0 116.995 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -49.42 66.09 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 131.377 3.871 . . . . 0.0 114.117 170.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 26.3 t80 -74.94 -39.33 61.41 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 125.2 1.4 . . . . 0.0 107.73 171.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.634 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.3 mt -60.11 -38.1 81.98 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -72.49 -38.95 68.01 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.11 -34.33 74.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.704 2.402 . . . . 0.0 112.515 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.47 -46.68 25.75 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.627 1.971 . . . . 0.0 114.825 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.6 -9.56 55.8 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-N 121.912 2.142 . . . . 0.0 114.877 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 -13.05 2.56 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 125.529 1.538 . . . . 0.0 116.613 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.253 0.4 OUTLIER -109.53 151.27 26.98 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.055 2.142 . . . . 0.0 114.238 -176.245 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.7 m -86.08 42.62 0.99 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.325 2.65 . . . . 0.0 116.139 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.2 m -73.96 -11.84 60.46 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.309 1.444 . . . . 0.0 111.214 168.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.57 1.2 Allowed 'General case' 0 C--N 1.353 0.743 1 C-N-CA 134.318 5.047 . . . . 0.0 118.213 -172.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -71.14 -40.04 71.6 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 131.017 3.727 . . . . 0.0 113.711 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -147.98 161.53 41.16 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-O 123.179 1.466 . . . . 0.0 108.934 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -56.05 -51.1 69.04 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.99 2.516 . . . . 0.0 114.236 -177.449 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.743 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -55.86 -46.07 78.34 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 130.196 3.398 . . . . 0.0 114.946 178.1 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -73.13 -46.61 50.13 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.272 1.829 . . . . 0.0 115.608 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.62 -39.07 77.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 O-C-N 120.336 -1.478 . . . . 0.0 111.838 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -65.12 -34.0 77.36 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.322 1.849 . . . . 0.0 114.158 171.156 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -67.69 -43.43 80.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 127.276 2.23 . . . . 0.0 113.35 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -66.66 -35.74 80.87 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 124.387 2.041 . . . . 0.0 111.355 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.63 -42.79 98.11 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.999 169.729 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 53' ' ' TRP 1.134 34.2 m -67.16 -31.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 128.989 2.915 . . . . 0.0 116.132 171.702 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.97 -41.59 99.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.907 2.083 . . . . 0.0 111.377 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.32 . . -62.81 -42.04 99.55 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 168.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CG ' HG12 ' A' ' 57' ' ' VAL . 4.4 t80 -52.05 -14.74 0.44 Allowed 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 130.901 3.681 . . . . 0.0 115.785 -166.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.22 6.11 75.44 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 127.573 2.511 . . . . 0.0 116.804 168.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -94.58 -52.87 4.11 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.452 2.301 . . . . 0.0 114.76 -178.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.1 29.83 2.33 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 120.1 -1.625 . . . . 0.0 113.093 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.4 tp -84.65 144.08 42.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 127.989 2.516 . . . . 0.0 112.369 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.34 91.01 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 123.395 2.73 . . . . 0.0 110.396 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.28 2.97 8.17 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.204 3.269 . . . . 0.0 113.94 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.72 -57.19 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.736 0 CA-C-O 116.275 -1.821 . . . . 0.0 112.038 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.85 141.78 13.62 Favored 'Trans proline' 0 CA--C 1.553 1.465 0 CA-C-N 126.018 3.185 . . . . 0.0 112.197 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.41 72.69 5.39 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 125.429 4.086 . . . . 0.0 111.17 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.26 97.4 9.94 Favored Pre-proline 0 C--N 1.354 0.779 0 C-N-CA 128.677 2.791 . . . . 0.0 112.743 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -143.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.272 0 C-N-CA 124.797 3.664 . . . . 0.0 108.963 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.03 139.74 5.45 Favored 'Trans proline' 0 C--N 1.369 1.629 1 CA-C-N 129.106 4.288 . . . . 0.0 111.033 175.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.72 102.53 15.15 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 119.857 -1.777 . . . . 0.0 108.861 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 t -153.99 30.29 0.45 Allowed 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.8 mt -141.62 -85.86 0.18 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.572 1.549 . . . . 0.0 112.656 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.398 82.7 p 87.01 -46.24 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.718 2.807 . . . . 0.0 113.762 -175.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -77.58 -21.92 51.71 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.456 1.902 . . . . 0.0 114.724 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 tp -130.52 24.64 5.11 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.593 1.557 . . . . 0.0 109.054 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -151.15 38.62 0.65 Allowed 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.061 -1.649 . . . . 0.0 107.714 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.359 1.011 0 C-N-CA 125.214 1.406 . . . . 0.0 111.882 -177.125 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -71.69 -26.12 73.6 Favored Glycine 0 C--N 1.37 2.464 0 C-N-CA 126.122 1.82 . . . . 0.0 116.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -124.0 149.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 173.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.33 69.09 10.41 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.084 -1.635 . . . . 0.0 114.388 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.607 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.487 1.5 m-85 -78.07 -68.0 0.68 Allowed 'General case' 0 C--O 1.233 0.217 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 149.424 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -55.68 -46.05 77.67 Favored 'General case' 0 C--N 1.384 2.069 0 C-N-CA 129.193 2.997 . . . . 0.0 116.131 -161.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.68 -39.7 61.69 Favored Glycine 0 C--N 1.366 2.196 0 C-N-CA 126.937 2.208 . . . . 0.0 117.524 165.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -38.36 58.4 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 119.695 -2.062 . . . . 0.0 112.234 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.607 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.394 0.0 OUTLIER -69.85 -38.27 76.4 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 171.186 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.25 1.8 t -82.0 -31.96 30.8 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.17 -33.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.066 1.303 . . . . 0.0 114.117 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.298 82.1 m-85 -116.31 -30.43 5.93 Favored 'General case' 0 C--N 1.381 1.952 0 CA-C-N 124.068 3.122 . . . . 0.0 112.927 -168.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.65 -96.32 0.79 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 118.649 2.219 . . . . 0.0 118.649 157.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.34 -31.0 63.71 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 120.093 3.368 . . . . 0.0 120.093 -169.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -156.51 176.55 12.56 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -81.12 140.92 49.71 Favored Pre-proline 0 C--N 1.353 0.719 0 O-C-N 120.981 -1.075 . . . . 0.0 112.82 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.598 ' CB ' HD11 ' A' ' 20' ' ' ILE . 18.5 Cg_endo -88.24 -178.78 2.21 Favored 'Trans proline' 0 N--CA 1.441 -1.584 0 C-N-CA 122.731 2.287 . . . . 0.0 114.225 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 8.9 mp0 -71.72 154.33 41.42 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 130.466 3.506 . . . . 0.0 112.011 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.257 30.8 p -66.05 -22.02 66.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 119.039 2.978 . . . . 0.0 119.039 -174.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 42.0 p-80 -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 126.415 1.886 . . . . 0.0 111.982 173.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.598 HD11 ' CB ' ' A' ' 16' ' ' PRO . 16.3 pt -77.87 -42.91 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 O-C-N 121.193 -0.942 . . . . 0.0 113.24 164.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.386 0.5 OUTLIER -62.59 -49.08 76.66 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 119.512 1.051 . . . . 0.0 112.921 -175.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 32' ' ' PRO . 29.3 m-85 -75.25 -24.34 57.62 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 119.081 -2.262 . . . . 0.0 115.165 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.28 -17.11 12.83 Favored 'General case' 0 C--N 1.374 1.637 0 N-CA-C 118.942 2.942 . . . . 0.0 118.942 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -99.63 131.11 45.83 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 120.587 1.54 . . . . 0.0 110.198 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -56.03 -32.23 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 127.347 2.259 . . . . 0.0 115.198 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -31.97 10.59 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 130.398 3.479 . . . . 0.0 113.381 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.63 -39.69 5.31 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 126.631 1.972 . . . . 0.0 112.568 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.49 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 11.3 t-160 -72.04 -18.77 61.93 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -17.14 64.01 Favored 'General case' 0 C--N 1.373 1.613 0 O-C-N 119.521 -1.987 . . . . 0.0 114.725 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -98.43 -71.42 0.69 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 130.46 3.504 . . . . 0.0 114.717 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -157.05 144.6 13.9 Favored Pre-proline 0 CA--C 1.496 -1.102 0 N-CA-C 100.324 -3.954 . . . . 0.0 100.324 178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 38.1 Cg_endo -78.99 -36.94 0.63 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 CA-C-N 124.725 2.723 . . . . 0.0 117.682 175.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 1.078 0.3 OUTLIER -179.73 -174.51 0.29 Allowed 'General case' 0 C--N 1.35 0.597 0 CA-C-N 121.86 2.118 . . . . 0.0 112.946 -178.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.609 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 2.3 m-85 -43.27 -19.67 0.02 OUTLIER 'General case' 0 C--N 1.372 1.561 1 C-N-CA 134.029 4.932 . . . . 0.0 116.997 -175.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.13 -44.55 53.36 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 128.699 2.8 . . . . 0.0 114.377 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 16.6 t80 -74.78 -49.08 22.16 Favored 'General case' 0 C--N 1.374 1.649 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.537 1.0 OUTLIER -64.1 -35.43 80.74 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -179.648 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -72.28 -36.99 69.12 Favored 'General case' 0 C--N 1.374 1.668 0 CA-C-N 123.415 2.825 . . . . 0.0 114.261 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -69.36 -34.89 75.26 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.278 2.231 . . . . 0.0 113.17 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -87.07 -33.23 19.58 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 8.6 tp -76.15 -7.65 55.27 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.48 -13.67 3.68 Favored Glycine 0 C--N 1.352 1.452 0 C-N-CA 128.291 2.853 . . . . 0.0 116.74 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.25 143.7 48.16 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.961 1.88 . . . . 0.0 113.317 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -74.51 60.02 0.85 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 126.649 1.98 . . . . 0.0 114.354 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.2 p -72.7 -27.13 61.89 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 128.96 2.904 . . . . 0.0 115.366 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 -6.9 32.35 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -166.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -57.49 -25.53 59.9 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 129.725 3.21 . . . . 0.0 115.951 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.8 m -147.94 124.12 10.82 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.13 -1.606 . . . . 0.0 107.04 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.83 -41.5 82.42 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.679 1.592 . . . . 0.0 114.373 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.8 mpt_? -65.38 -40.62 93.73 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.27 2.628 . . . . 0.0 113.418 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -72.86 -46.73 51.35 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 126.085 1.754 . . . . 0.0 114.29 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 45' ' ' SER . 5.3 p -64.53 -47.67 88.2 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 O-C-N 120.377 -1.452 . . . . 0.0 111.395 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.666 ' O ' HG22 ' A' ' 57' ' ' VAL 0.255 0.0 OUTLIER -60.23 -33.55 72.43 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.513 175.028 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -66.94 -42.95 84.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.177 1.791 . . . . 0.0 114.403 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.7 -43.01 94.85 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.856 2.265 . . . . 0.0 111.295 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -63.18 -40.48 97.63 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.081 -1.872 . . . . 0.0 113.967 172.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 53' ' ' TRP 1.176 18.1 m -67.32 -31.85 54.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 130.817 3.647 . . . . 0.0 116.432 169.34 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -40.35 94.49 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.194 2.198 . . . . 0.0 110.587 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.324 . . -63.12 -41.03 99.26 Favored 'General case' 0 C--N 1.381 1.935 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 168.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.514 ' CG ' HG12 ' A' ' 57' ' ' VAL . 25.9 t80 -52.25 -14.65 0.47 Allowed 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 130.091 3.356 . . . . 0.0 115.682 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.69 5.96 64.63 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 119.411 -2.055 . . . . 0.0 115.82 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.316 0.0 OUTLIER -99.82 -30.02 12.28 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 127.488 2.315 . . . . 0.0 117.134 -176.702 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -119.1 29.6 7.6 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 119.596 -1.94 . . . . 0.0 112.452 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -94.85 104.66 15.28 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.35 149.3 16.88 Favored 'Trans proline' 0 CA--C 1.56 1.816 0 C-N-CA 123.673 2.916 . . . . 0.0 109.815 165.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -83.14 49.34 2.99 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 124.233 3.288 . . . . 0.0 113.629 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.5 154.68 3.88 Favored Pre-proline 0 C--N 1.357 0.901 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.18 131.57 11.96 Favored 'Trans proline' 0 CA--C 1.557 1.651 0 C-N-CA 124.572 3.515 . . . . 0.0 111.412 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.37 -114.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.378 2.719 . . . . 0.0 111.389 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 -37.91 0.38 Allowed Pre-proline 0 C--N 1.354 0.771 0 C-N-CA 128.228 2.611 . . . . 0.0 117.536 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -67.71 -31.63 32.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.791 3.66 . . . . 0.0 120.072 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.93 143.13 22.87 Favored 'Trans proline' 0 C--N 1.37 1.709 1 CA-C-N 129.73 4.511 . . . . 0.0 112.43 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tt -117.58 148.57 41.78 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.775 1.23 . . . . 0.0 110.092 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -79.57 63.98 4.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 118.519 -2.613 . . . . 0.0 112.607 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 142.09 71.21 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 1 C-N-CA 135.022 5.329 . . . . 0.0 100.626 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -90.23 5.27 47.8 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.665 2.386 . . . . 0.0 114.546 -171.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 136.34 -63.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.737 1 C-N-CA 132.184 4.194 . . . . 0.0 104.178 -171.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.0 tp -132.22 41.14 3.26 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.223 1.409 . . . . 0.0 107.248 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 83.65 167.83 0.1 Allowed 'General case' 0 C--N 1.37 1.472 0 C-N-CA 130.817 3.647 . . . . 0.0 112.833 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 76' ' ' SER . 1.9 p80 . . . . . 0 C--N 1.368 1.407 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.422 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 45.4 tpp . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 102.72 -103.13 2.37 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 126.711 2.1 . . . . 0.0 110.418 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.25 131.38 66.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 174.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -90.67 69.78 6.67 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 120.006 -1.684 . . . . 0.0 113.557 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 59' ' ' ALA . 9.4 m-85 -74.77 -52.12 12.31 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 128.429 2.692 . . . . 0.0 110.742 145.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.513 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.503 7.2 t -57.64 -46.96 83.52 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 -165.186 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.45 -27.29 53.6 Favored Glycine 0 C--N 1.385 3.306 0 CA-C-N 123.922 3.055 . . . . 0.0 116.68 163.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 7' ' ' LEU 0.265 0.5 OUTLIER -76.51 -46.27 27.32 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 119.394 -2.239 . . . . 0.0 111.372 176.388 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.586 HH22 ' H ' ' A' ' 63' ' ' ALA 0.33 0.0 OUTLIER -69.09 -38.24 78.85 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 171.668 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.471 0.7 OUTLIER -82.23 -23.63 35.27 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 177.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.46 -36.68 5.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 120.541 1.519 . . . . 0.0 111.237 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -117.38 -12.63 10.43 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 118.682 -2.511 . . . . 0.0 114.734 -170.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.89 -61.99 2.5 Favored Glycine 0 C--N 1.36 1.883 0 N-CA-C 119.455 2.542 . . . . 0.0 119.455 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -67.64 -54.79 16.74 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 15.6 ttmm -154.63 -142.78 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 3.9 mm? -108.95 135.78 20.11 Favored Pre-proline 0 N--CA 1.446 -0.661 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 174.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HG3' HD11 ' A' ' 20' ' ' ILE . 13.2 Cg_endo -85.98 -178.36 2.84 Favored 'Trans proline' 0 N--CA 1.454 -0.821 1 C-N-CA 125.565 4.177 . . . . 0.0 112.208 177.097 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 9.5 mp0 -67.33 152.06 46.37 Favored 'General case' 0 N--CA 1.441 -0.902 1 C-N-CA 132.347 4.259 . . . . 0.0 116.665 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -23.66 66.35 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 120.171 3.397 . . . . 0.0 120.171 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.6 -41.93 99.27 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.601 1.561 . . . . 0.0 111.092 173.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD11 ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -78.03 -53.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 C-N-CA 125.321 1.449 . . . . 0.0 114.234 166.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.342 1.0 OUTLIER -63.93 -49.99 70.43 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-N 119.868 1.213 . . . . 0.0 112.184 -168.721 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 1.6 m-85 -76.32 -16.03 59.85 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.79 -21.42 10.69 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 119.252 3.056 . . . . 0.0 119.252 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -109.19 138.45 45.52 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.261 -1.525 . . . . 0.0 109.289 -173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.362 8.1 m -64.54 -19.38 25.05 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.25 -36.81 21.4 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 128.246 2.618 . . . . 0.0 113.07 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.95 -34.6 6.38 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 126.507 1.923 . . . . 0.0 114.843 168.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 3.1 t-160 -72.11 -18.34 61.91 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -173.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -9.58 56.0 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.25 2.62 . . . . 0.0 113.287 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 0' ' ' MET . 0.2 OUTLIER -110.17 -70.64 0.8 Allowed 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 129.197 2.999 . . . . 0.0 112.669 -161.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.4 m -152.81 150.3 24.12 Favored Pre-proline 0 CA--C 1.479 -1.777 1 N-CA-C 97.421 -5.029 . . . . 0.0 97.421 168.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 94.8 Cg_endo -83.95 -39.61 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 CA-C-N 125.47 2.989 . . . . 0.0 119.31 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.733 0.3 OUTLIER 178.08 -175.2 0.17 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 126.804 2.042 . . . . 0.0 110.533 -177.658 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.3 m-85 -44.29 -20.64 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.027 1 C-N-CA 132.502 4.321 . . . . 0.0 118.391 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.62 57.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 126.519 1.928 . . . . 0.0 113.02 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 15.8 t80 -75.47 -51.5 12.86 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.527 0.4 OUTLIER -65.16 -34.19 77.79 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -178.042 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -72.58 -38.42 67.9 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-N 123.804 3.002 . . . . 0.0 112.72 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -68.87 -34.89 76.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.339 2.256 . . . . 0.0 112.882 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.25 -32.89 24.21 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 124.678 1.191 . . . . 0.0 113.27 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -84.16 -9.7 58.35 Favored 'General case' 0 C--N 1.373 1.602 0 O-C-N 119.85 -1.782 . . . . 0.0 114.214 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.92 -13.31 2.54 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 117.398 1.719 . . . . 0.0 117.398 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.32 0.4 OUTLIER -103.87 136.36 43.68 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 126.199 1.799 . . . . 0.0 114.159 -177.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -82.39 44.55 0.89 Allowed 'General case' 0 C--N 1.372 1.551 0 C-N-CA 126.246 1.819 . . . . 0.0 115.182 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -73.61 -9.69 58.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.747 2.019 . . . . 0.0 115.639 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 118.535 2.791 . . . . 0.0 118.535 -169.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -40.37 -45.59 2.2 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.896 3.679 . . . . 0.0 117.748 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -126.36 137.53 53.47 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.49 -41.84 81.51 Favored 'General case' 0 C--N 1.377 1.77 0 C-N-CA 126.047 1.739 . . . . 0.0 112.623 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.33 88.5 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 129.472 3.109 . . . . 0.0 113.767 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -72.97 -46.86 49.96 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 126.751 2.02 . . . . 0.0 114.154 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 12.9 p -67.93 -42.24 85.43 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 120.401 -1.437 . . . . 0.0 112.568 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.668 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -63.91 -34.16 77.34 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 126.108 1.763 . . . . 0.0 113.896 172.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -65.66 -45.05 84.43 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.948 1.699 . . . . 0.0 113.426 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -66.0 -36.51 83.47 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 121.3 1.864 . . . . 0.0 112.532 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -61.82 -45.82 92.16 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.771 -1.558 . . . . 0.0 114.802 170.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 53' ' ' TRP 0.958 19.4 m -67.31 -32.28 56.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 129.937 3.295 . . . . 0.0 115.849 170.055 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.05 -39.94 95.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.695 1.998 . . . . 0.0 111.412 165.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.293 . . -64.42 -45.92 85.46 Favored 'General case' 0 C--N 1.379 1.879 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 170.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' HG12 ' A' ' 57' ' ' VAL . 41.1 t80 -50.09 -14.39 0.15 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 131.596 3.958 . . . . 0.0 116.656 -168.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.42 2.2 67.96 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.216 2.341 . . . . 0.0 117.221 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.253 0.2 OUTLIER -91.49 -47.82 7.22 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -177.034 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -92.49 -3.66 54.81 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.795 -1.816 . . . . 0.0 111.997 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 tp -98.09 133.3 23.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.32 1.448 . . . . 0.0 111.974 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -82.31 -86.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.562 1.886 0 CA-C-O 112.301 -3.291 . . . . 0.0 112.565 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.29 -40.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.368 1.6 1 CA-C-N 131.821 5.258 . . . . 0.0 113.164 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 177.25 168.9 0.45 Allowed Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.61 115.49 4.35 Favored 'Trans proline' 0 CA--C 1.553 1.462 0 C-N-CA 124.302 3.335 . . . . 0.0 112.482 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -122.21 4.12 0.02 OUTLIER 'Trans proline' 0 CA--C 1.542 0.924 0 CA-C-N 123.145 2.159 . . . . 0.0 113.248 -171.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.49 156.38 28.8 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 122.558 2.435 . . . . 0.0 110.381 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -85.71 170.5 8.83 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.714 3.609 . . . . 0.0 111.784 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.18 158.1 26.51 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.824 3.016 . . . . 0.0 112.828 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -83.4 108.18 16.4 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.308 1.843 . . . . 0.0 112.105 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -159.34 170.36 21.98 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.61 49.99 0.83 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.144 2.178 . . . . 0.0 111.015 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 p -71.96 53.19 0.25 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.806 2.843 . . . . 0.0 116.847 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -117.14 -43.14 2.86 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.878 2.071 . . . . 0.0 108.91 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.42 34.97 0.71 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.688 1.195 . . . . 0.0 108.211 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.41 -69.82 0.43 Allowed 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.054 -1.654 . . . . 0.0 108.693 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 . . . . . 0 C--N 1.352 0.703 0 C-N-CA 124.446 1.098 . . . . 0.0 111.288 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.41 -30.21 69.33 Favored Glycine 0 C--N 1.367 2.25 0 C-N-CA 126.211 1.862 . . . . 0.0 116.464 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -111.56 127.25 68.83 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 31' ' ' VAL . 39.1 t0 -79.22 71.41 5.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 117.656 2.465 . . . . 0.0 117.656 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.461 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.335 2.5 m-85 -76.35 -60.49 2.32 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.746 2.018 . . . . 0.0 115.123 150.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.508 0.3 OUTLIER -57.05 -46.43 82.43 Favored 'General case' 0 C--N 1.377 1.786 1 N-CA-C 122.85 4.389 . . . . 0.0 122.85 -161.037 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -61.57 -27.71 68.52 Favored Glycine 0 C--N 1.381 3.056 0 CA-C-N 125.267 3.667 . . . . 0.0 112.384 170.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD23 HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -75.81 -41.9 51.44 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 118.608 -2.701 . . . . 0.0 111.817 173.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.394 1.5 ptt85 -69.3 -37.44 77.79 Favored 'General case' 0 C--N 1.376 1.739 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 169.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.6 OUTLIER -82.29 -21.03 36.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.136 2.174 . . . . 0.0 115.252 178.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 11' ' ' PHE . 3.6 mp -101.34 -42.11 9.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.286 1.434 . . . . 0.0 110.734 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 21.0 m-85 -106.25 -30.42 9.2 Favored 'General case' 0 C--N 1.381 1.955 0 O-C-N 118.097 -2.877 . . . . 0.0 114.351 -169.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.19 -93.53 0.98 Allowed Glycine 0 C--N 1.357 1.705 0 N-CA-C 116.307 1.283 . . . . 0.0 116.307 173.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -74.17 -41.27 61.76 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 119.174 3.028 . . . . 0.0 119.174 -172.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -144.96 161.07 40.28 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.49 153.67 37.88 Favored Pre-proline 0 N--CA 1.441 -0.904 0 C-N-CA 125.84 1.656 . . . . 0.0 112.474 -178.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 92.5 Cg_endo -74.13 -178.17 3.71 Favored 'Trans proline' 0 N--CA 1.456 -0.68 1 C-N-CA 126.817 5.012 . . . . 0.0 117.715 -174.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 49.3 mt-10 -92.46 160.91 14.85 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 129.594 3.157 . . . . 0.0 109.132 175.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.9 p -52.02 -23.33 5.02 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 121.364 3.839 . . . . 0.0 121.364 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 39.4 p-80 -64.51 -47.47 78.78 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 126.809 2.043 . . . . 0.0 112.494 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.265 0.8 OUTLIER -79.39 -37.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.553 162.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.435 0.8 OUTLIER -67.15 -53.39 30.99 Favored 'General case' 0 C--N 1.38 1.912 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -167.389 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.256 55.1 m-85 -75.46 -10.3 59.33 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 121.56 1.982 . . . . 0.0 111.805 171.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.04 -22.14 10.2 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -107.98 132.39 53.56 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.097 -2.252 . . . . 0.0 110.523 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 29' ' ' LYS 0.256 2.1 t -65.91 -3.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.642 0 C-N-CA 128.498 2.719 . . . . 0.0 115.248 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.933 2.493 . . . . 0.0 109.492 167.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.94 -39.66 4.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -54.59 -18.48 4.5 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' HG12 ' A' ' 25' ' ' VAL . 4.5 ptmt -68.32 -18.75 64.58 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.381 3.072 . . . . 0.0 113.52 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -111.97 -97.88 0.42 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.948 2.099 . . . . 0.0 108.997 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' H ' ' HB2' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -118.86 148.33 44.3 Favored Pre-proline 0 CA--C 1.487 -1.459 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 175.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 94.3 Cg_endo -84.0 -37.24 0.15 Allowed 'Trans proline' 0 N--CA 1.435 -1.958 0 CA-C-O 114.984 -2.173 . . . . 0.0 117.429 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.658 0.6 OUTLIER -179.18 -176.06 0.4 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 124.829 3.468 . . . . 0.0 111.653 -175.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 2.3 m-85 -44.3 -20.63 0.03 OUTLIER 'General case' 0 C--N 1.382 2.012 1 C-N-CA 132.729 4.412 . . . . 0.0 117.195 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.79 -45.1 62.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 128.543 2.737 . . . . 0.0 114.074 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 29.7 t80 -74.7 -50.78 16.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 125.271 1.428 . . . . 0.0 107.339 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.426 0.4 OUTLIER -64.11 -32.22 73.7 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 -179.463 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -73.29 -42.67 62.15 Favored 'General case' 0 C--N 1.375 1.705 0 O-C-N 119.316 -2.115 . . . . 0.0 113.615 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.52 -34.04 75.18 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.525 2.33 . . . . 0.0 113.202 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -81.53 -39.85 24.05 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.272 1.429 . . . . 0.0 114.27 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.74 -10.15 54.3 Favored 'General case' 0 C--N 1.38 1.909 0 CA-C-N 122.293 2.315 . . . . 0.0 113.858 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 21.56 78.95 Favored Glycine 0 C--N 1.372 2.568 0 C-N-CA 125.523 1.535 . . . . 0.0 113.0 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.9 tp -102.53 148.65 25.27 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 126.511 1.924 . . . . 0.0 113.038 -167.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 m -107.52 13.14 27.1 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.411 -1.431 . . . . 0.0 112.895 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -73.2 -12.78 61.0 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.86 -0.5 7.36 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 -170.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -70.8 -26.48 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.59 2.756 . . . . 0.0 115.673 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m -133.25 125.97 30.5 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -59.28 -34.6 72.47 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 120.593 -1.317 . . . . 0.0 114.201 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.309 23.2 mmt180 -73.04 -33.23 65.57 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 125.499 1.52 . . . . 0.0 114.752 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -73.55 -46.37 47.88 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.193 1.397 . . . . 0.0 113.888 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 46' ' ' ALA 0.29 13.7 p -66.88 -46.38 85.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.232 0 O-C-N 120.549 -1.344 . . . . 0.0 111.542 174.305 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 57' ' ' VAL 0.433 0.0 OUTLIER -61.08 -33.65 73.67 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 124.432 1.093 . . . . 0.0 113.455 174.023 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -66.48 -44.43 82.66 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.889 1.677 . . . . 0.0 114.049 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.71 -33.81 75.62 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 122.044 2.202 . . . . 0.0 112.408 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.489 ' HD1' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.22 -52.07 66.31 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 114.095 -1.411 . . . . 0.0 114.253 169.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 53' ' ' TRP 1.075 30.4 m -59.93 -31.51 47.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 128.819 2.848 . . . . 0.0 116.252 169.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.46 -39.58 94.84 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 126.475 1.91 . . . . 0.0 111.835 163.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.343 . . -63.85 -42.06 97.65 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.368 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CG ' HG12 ' A' ' 57' ' ' VAL . 24.2 t80 -51.24 -14.69 0.28 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 131.422 3.889 . . . . 0.0 115.714 -166.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.8 6.06 84.01 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 126.805 2.145 . . . . 0.0 117.306 165.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -50.83 5.27 Favored 'General case' 0 C--N 1.371 1.54 0 CA-C-N 121.273 2.536 . . . . 0.0 115.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -100.11 28.34 4.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 119.7 -1.875 . . . . 0.0 113.746 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.3 tp -103.44 135.67 19.34 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.496 1.918 . . . . 0.0 109.278 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.86 148.06 15.41 Favored 'Trans proline' 0 CA--C 1.561 1.851 0 C-N-CA 123.608 2.872 . . . . 0.0 111.47 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.07 66.79 8.77 Favored 'Trans proline' 0 C--N 1.359 1.119 1 C-N-CA 125.321 4.014 . . . . 0.0 112.881 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 68' ' ' PRO . . . -175.03 -175.05 0.23 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 N-CA-C 101.506 -3.516 . . . . 0.0 101.506 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HB1' ' A' ' 67' ' ' ALA . 72.8 Cg_endo -77.88 132.26 11.69 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 127.696 3.784 . . . . 0.0 110.021 171.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.99 -29.1 23.28 Favored 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 125.023 3.815 . . . . 0.0 114.607 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 93.98 150.32 0.05 OUTLIER Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 130.052 3.341 . . . . 0.0 112.467 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.67 167.24 20.93 Favored 'Trans proline' 0 CA--C 1.553 1.463 0 C-N-CA 123.916 3.077 . . . . 0.0 110.507 172.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.22 133.81 16.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.547 2.832 . . . . 0.0 113.39 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.86 148.03 37.4 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.208 2.203 . . . . 0.0 109.123 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -148.4 30.31 0.84 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.215 1.406 . . . . 0.0 107.242 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -178.48 177.06 0.97 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.892 2.477 . . . . 0.0 104.883 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 m 62.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.363 1.185 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -84.11 -55.17 4.35 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.721 2.009 . . . . 0.0 112.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.17 -5.19 59.21 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.801 1.64 . . . . 0.0 111.738 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -113.16 10.16 18.58 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.231 2.212 . . . . 0.0 110.996 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--N 1.364 1.224 0 C-N-CA 126.413 1.885 . . . . 0.0 115.301 -175.109 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 168.04 -94.87 0.11 Allowed Glycine 0 C--N 1.362 2.026 0 CA-C-N 120.372 1.442 . . . . 0.0 112.634 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 mt -89.75 141.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 120.637 -1.507 . . . . 0.0 107.975 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.588 ' O ' HD22 ' A' ' 7' ' ' LEU . 14.5 t0 -86.1 66.23 9.47 Favored 'General case' 0 C--N 1.367 1.334 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 -173.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.579 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 2.4 m-85 -76.31 -68.6 0.57 Allowed 'General case' 0 N--CA 1.442 -0.856 1 C-N-CA 132.996 4.518 . . . . 0.0 116.734 150.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.256 58.2 m -56.51 -46.42 80.54 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 117.751 -165.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.59 -34.78 50.35 Favored Glycine 0 C--N 1.375 2.736 0 CA-C-N 122.208 2.276 . . . . 0.0 116.26 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 3' ' ' ASP 0.281 0.9 OUTLIER -76.31 -46.42 27.85 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 118.393 -2.828 . . . . 0.0 110.275 -178.857 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.579 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.425 2.5 ptt85 -69.56 -32.82 71.84 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 169.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.35 0.7 OUTLIER -82.35 -32.03 29.5 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 HG22 ' CE2' ' A' ' 11' ' ' PHE . 4.9 mp -95.54 -36.97 7.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 124.303 1.041 . . . . 0.0 112.3 174.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 17.0 m-85 -110.7 -30.37 7.62 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 117.899 -3.001 . . . . 0.0 113.003 -169.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.5 -94.03 0.83 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.95 -32.88 59.73 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 -168.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 27.4 ttmt -141.17 -157.65 0.79 Allowed 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD23 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -104.34 138.78 19.62 Favored Pre-proline 0 C--N 1.35 0.597 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 171.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HG3' HD11 ' A' ' 20' ' ' ILE . 9.6 Cg_endo -86.58 174.79 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.482 2.788 . . . . 0.0 110.58 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -74.14 167.91 20.62 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.302 8.7 p -61.52 -23.14 65.73 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -58.17 -46.32 85.93 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.092 2.157 . . . . 0.0 111.431 172.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 16' ' ' PRO 0.284 0.1 OUTLIER -78.84 -49.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.706 1.603 . . . . 0.0 114.999 164.848 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.278 1.0 OUTLIER -64.77 -50.68 65.85 Favored 'General case' 0 C--N 1.385 2.13 0 O-C-N 120.978 -1.076 . . . . 0.0 111.926 -167.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 2.5 m-85 -75.98 -13.08 60.24 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 125.09 1.356 . . . . 0.0 113.533 174.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.51 -22.17 9.94 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 120.288 3.44 . . . . 0.0 120.288 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.7 m -106.68 134.81 49.26 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 119.446 -2.034 . . . . 0.0 111.007 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.14 -31.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.302 3.041 . . . . 0.0 115.178 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -35.46 15.36 Favored 'General case' 0 C--N 1.37 1.476 1 C-N-CA 132.421 4.288 . . . . 0.0 111.897 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.59 -39.64 5.09 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 111.925 167.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -58.39 -19.15 33.55 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 120.3 3.444 . . . . 0.0 120.3 -175.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -18.57 63.53 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.823 2.449 . . . . 0.0 114.433 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.34 -80.49 0.48 Allowed 'General case' 0 C--N 1.349 0.545 0 C-N-CA 129.564 3.146 . . . . 0.0 111.311 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.4 m -144.05 156.57 58.29 Favored Pre-proline 0 CA--C 1.485 -1.521 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 50.5 Cg_endo -87.66 -37.66 0.08 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.527 0 N-CA-C 120.601 3.27 . . . . 0.0 120.601 -177.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.957 0.1 OUTLIER 179.45 -174.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 124.11 3.141 . . . . 0.0 115.134 -177.093 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.546 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 43.2 m-85 -42.94 -32.42 0.64 Allowed 'General case' 0 C--N 1.382 1.99 0 C-N-CA 130.625 3.57 . . . . 0.0 115.953 -178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.18 98.09 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 129.911 3.285 . . . . 0.0 115.602 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 32.0 t80 -74.74 -46.66 35.89 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.283 2.233 . . . . 0.0 106.719 173.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.418 0.0 OUTLIER -60.47 -34.6 74.26 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 179.039 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -69.14 -40.91 77.95 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -69.19 -34.53 75.05 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.912 1.685 . . . . 0.0 113.055 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -72.44 -40.26 67.2 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.739 2.016 . . . . 0.0 114.745 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.58 -9.14 48.18 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 121.48 1.945 . . . . 0.0 114.436 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.31 -12.89 3.02 Favored Glycine 0 C--N 1.358 1.793 0 C-N-CA 125.685 1.612 . . . . 0.0 116.657 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.21 154.46 18.44 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 126.495 1.918 . . . . 0.0 112.195 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -75.02 61.46 1.07 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.785 1.634 . . . . 0.0 114.133 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' HG23 ' A' ' 52' ' ' VAL . 14.8 p -73.44 -34.86 65.65 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.84 5.08 1.2 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -64.21 -49.43 72.02 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.822 2.849 . . . . 0.0 113.323 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -133.49 140.01 46.99 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 122.819 1.295 . . . . 0.0 108.821 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -39.39 80.73 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.879 2.072 . . . . 0.0 112.387 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.267 11.2 mmm180 -72.51 -33.59 67.03 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.527 1.931 . . . . 0.0 115.432 174.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -72.79 -46.34 53.79 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 121.317 1.871 . . . . 0.0 113.684 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 45' ' ' SER 0.271 14.4 p -65.64 -45.61 91.72 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 O-C-N 120.331 -1.48 . . . . 0.0 113.185 175.203 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.63 -33.83 73.37 Favored 'General case' 0 C--N 1.368 1.377 0 CA-C-O 116.678 -1.63 . . . . 0.0 114.048 172.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -67.47 -42.85 82.33 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.505 1.922 . . . . 0.0 114.55 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -66.77 -40.46 88.21 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-O 124.34 2.019 . . . . 0.0 110.521 174.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -62.2 -41.92 98.81 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 112.928 -1.942 . . . . 0.0 113.924 168.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.197 13.4 m -66.75 -32.55 58.52 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 C-N-CA 129.771 3.228 . . . . 0.0 116.897 172.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -65.17 -43.38 91.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.05 2.54 . . . . 0.0 110.795 164.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.313 . . -59.73 -45.52 91.92 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 170.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.611 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -51.64 -15.46 0.47 Allowed 'General case' 0 CA--C 1.565 1.528 1 C-N-CA 132.58 4.352 . . . . 0.0 114.5 -169.135 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.17 5.93 84.18 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 126.755 2.121 . . . . 0.0 116.791 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.337 0.1 OUTLIER -97.94 -52.02 3.86 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.873 2.336 . . . . 0.0 115.241 -179.049 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -91.05 29.32 1.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.283 -2.136 . . . . 0.0 113.074 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.47 114.52 55.53 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 127.899 2.48 . . . . 0.0 111.175 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -79.4 158.99 25.96 Favored 'Trans proline' 0 CA--C 1.555 1.566 0 C-N-CA 123.405 2.737 . . . . 0.0 112.354 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.49 68.06 8.41 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.957 3.771 . . . . 0.0 113.181 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 88.03 77.63 0.05 OUTLIER Pre-proline 0 C--N 1.363 1.183 0 C-N-CA 129.317 3.047 . . . . 0.0 112.445 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -86.96 170.53 7.2 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.581 2.854 . . . . 0.0 112.817 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 167.2 18.35 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 123.802 3.001 . . . . 0.0 109.635 165.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.44 -50.69 86.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.71 154.36 23.48 Favored 'Trans proline' 0 C--N 1.361 1.234 0 CA-C-N 124.877 2.777 . . . . 0.0 112.134 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.02 156.45 23.37 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 124.104 3.202 . . . . 0.0 111.431 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.82 103.97 16.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.821 1.248 . . . . 0.0 110.752 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 p -99.99 -72.56 0.66 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.653 1.981 . . . . 0.0 110.345 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.38 78.06 1.55 Allowed 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.917 2.087 . . . . 0.0 109.031 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -116.41 -161.56 0.8 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.847 -1.158 . . . . 0.0 109.818 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 73.89 46.99 0.17 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 128.301 2.64 . . . . 0.0 112.121 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.269 63.4 mt 82.66 37.38 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.551 3.14 . . . . 0.0 113.249 -177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -119.21 -97.55 0.46 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.517 1.527 . . . . 0.0 112.029 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.265 88.8 m-70 . . . . . 0 C--N 1.368 1.398 0 C-N-CA 127.927 2.491 . . . . 0.0 115.915 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 82.28 -115.24 3.98 Favored Glycine 0 C--N 1.361 1.924 0 C-N-CA 129.068 3.223 . . . . 0.0 115.286 173.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 3' ' ' ASP . 2.4 mt -96.63 150.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 126.783 2.033 . . . . 0.0 106.2 172.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.675 ' O ' HD22 ' A' ' 7' ' ' LEU . 23.6 t0 -83.64 67.47 9.46 Favored 'General case' 0 CA--C 1.484 -1.587 0 O-C-N 119.261 -2.149 . . . . 0.0 116.53 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' HB3' ' CD2' ' A' ' 60' ' ' TYR 0.481 1.6 m-85 -77.36 -68.67 0.59 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.289 2.636 . . . . 0.0 117.504 154.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.271 3.6 m -56.8 -47.36 80.39 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 127.692 2.397 . . . . 0.0 117.152 -164.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.48 -32.07 44.94 Favored Glycine 0 C--N 1.371 2.5 0 CA-C-N 122.314 2.324 . . . . 0.0 116.984 166.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.9 mp -76.34 -51.25 12.31 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.245 2.218 . . . . 0.0 112.491 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.5 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.343 1.2 ptt85 -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 175.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.338 0.6 OUTLIER -82.66 -44.99 15.06 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.038 1.335 . . . . 0.0 112.758 176.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.96 -31.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.365 1.245 0 O-C-N 118.893 -2.379 . . . . 0.0 113.979 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 16' ' ' PRO 0.295 0.4 OUTLIER -116.73 -30.57 5.74 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 123.791 2.996 . . . . 0.0 111.898 -172.029 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.91 -105.55 1.71 Allowed Glycine 0 C--N 1.356 1.669 0 N-CA-C 118.805 2.282 . . . . 0.0 118.805 163.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.23 -55.61 26.74 Favored 'General case' 0 C--N 1.364 1.207 1 N-CA-C 123.348 4.573 . . . . 0.0 123.348 -164.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 34.4 ttmt -105.81 -138.4 0.36 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 119.593 -1.942 . . . . 0.0 106.358 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 7' ' ' LEU . 2.8 mt -117.79 137.91 24.78 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 168.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 20' ' ' ILE . 40.8 Cg_endo -83.06 167.5 14.11 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.745 2.963 . . . . 0.0 113.339 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 46.8 mt-10 -75.78 160.76 29.66 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 123.88 1.8 . . . . 0.0 114.091 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE 0.281 3.3 p -56.53 -22.55 33.76 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 120.986 3.699 . . . . 0.0 120.986 -177.168 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 37.2 p-80 -62.1 -44.36 96.83 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 127.368 2.267 . . . . 0.0 111.515 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.549 HD11 ' CB ' ' A' ' 16' ' ' PRO . 8.0 pt -78.34 -47.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 121.514 -0.741 . . . . 0.0 112.709 160.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.367 0.8 OUTLIER -60.84 -53.2 60.28 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 124.01 0.924 . . . . 0.0 113.198 -167.099 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 16.7 m-85 -76.31 -10.32 59.31 Favored 'General case' 0 CA--C 1.562 1.439 0 O-C-N 119.81 -1.806 . . . . 0.0 113.478 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.17 -21.78 10.84 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 20' ' ' ILE . 13.2 t -98.54 154.09 18.16 Favored 'General case' 0 C--N 1.369 1.428 0 CA-C-N 121.134 1.788 . . . . 0.0 111.061 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.86 -31.02 39.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 126.816 2.046 . . . . 0.0 112.312 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.83 -30.07 9.16 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 129.597 3.159 . . . . 0.0 112.833 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.71 -39.75 5.27 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.554 2.342 . . . . 0.0 112.421 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -53.84 -34.41 59.2 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 119.341 3.089 . . . . 0.0 119.341 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -64.88 -15.17 61.61 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.291 2.636 . . . . 0.0 116.469 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -101.43 -77.97 0.54 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 128.834 2.854 . . . . 0.0 112.544 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.2 m -151.76 149.76 24.61 Favored Pre-proline 0 CA--C 1.485 -1.54 0 N-CA-C 101.301 -3.592 . . . . 0.0 101.301 174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.36 -37.41 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.278 0 N-CA-C 119.002 2.655 . . . . 0.0 119.002 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.787 0.3 OUTLIER 179.95 -175.86 0.31 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 123.161 2.71 . . . . 0.0 112.193 179.408 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.588 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 5.6 m-85 -44.11 -20.79 0.03 OUTLIER 'General case' 0 C--N 1.385 2.121 1 C-N-CA 132.045 4.138 . . . . 0.0 117.909 -176.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.94 -44.76 60.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 128.915 2.886 . . . . 0.0 113.876 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 9.0 t80 -74.96 -50.42 16.74 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.312 1.845 . . . . 0.0 107.195 171.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.552 0.5 OUTLIER -61.56 -29.59 70.11 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -179.047 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -66.92 -40.76 87.71 Favored 'General case' 0 C--N 1.378 1.817 0 O-C-N 119.34 -2.1 . . . . 0.0 114.116 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -34.96 74.84 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.729 2.012 . . . . 0.0 113.657 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -74.51 -36.78 63.23 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.322 1.849 . . . . 0.0 114.751 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.47 -8.76 59.77 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -13.13 2.88 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.887 1.708 . . . . 0.0 116.256 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.46 144.9 46.72 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.215 1.406 . . . . 0.0 114.028 -175.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -90.35 52.79 2.31 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.932 1.693 . . . . 0.0 114.066 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -74.16 -10.52 59.69 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.192 1.797 . . . . 0.0 110.923 167.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.01 5.8 1.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 132.448 4.299 . . . . 0.0 118.861 -172.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -75.18 -28.37 60.02 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 128.748 2.819 . . . . 0.0 113.797 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.95 146.99 47.87 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 124.773 1.229 . . . . 0.0 108.306 175.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -30.94 71.97 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.536 1.934 . . . . 0.0 112.714 175.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.7 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -73.21 -44.95 58.82 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.033 3.333 . . . . 0.0 114.445 176.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.18 -45.87 58.64 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.031 2.132 . . . . 0.0 113.008 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 56' ' ' PHE 0.291 7.8 p -68.45 -46.79 79.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 O-C-N 120.321 -1.487 . . . . 0.0 111.129 175.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' CH2' ' CE2' ' A' ' 34' ' ' TYR 0.321 0.0 OUTLIER -57.28 -32.09 66.26 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 170.625 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -66.72 -51.13 59.46 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.647 1.179 . . . . 0.0 114.022 169.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -67.83 -34.9 77.63 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 121.442 1.928 . . . . 0.0 114.26 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.528 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -70.55 -45.14 66.04 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 124.759 2.219 . . . . 0.0 113.359 177.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.123 1.0 OUTLIER -67.52 -31.48 52.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.038 -2.289 . . . . 0.0 115.127 172.43 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -62.37 -38.14 88.44 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 125.816 1.646 . . . . 0.0 112.752 161.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.366 . . -57.47 -45.62 84.6 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 125.94 1.696 . . . . 0.0 115.03 168.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -49.41 -13.77 0.08 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 129.273 3.029 . . . . 0.0 116.473 -164.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.16 -8.07 87.95 Favored Glycine 0 C--N 1.356 1.643 0 O-C-N 118.797 -2.439 . . . . 0.0 117.006 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.252 0.0 OUTLIER -79.78 -34.12 40.01 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 118.769 2.877 . . . . 0.0 118.769 -176.996 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -119.41 29.13 7.79 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 119.634 -1.916 . . . . 0.0 111.75 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.13 102.96 0.59 Allowed Pre-proline 0 CA--C 1.572 1.794 0 N-CA-C 118.766 2.876 . . . . 0.0 118.766 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -110.93 175.92 0.05 OUTLIER 'Trans proline' 0 CA--C 1.555 1.545 0 C-N-CA 123.397 2.731 . . . . 0.0 110.961 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -77.16 164.15 29.68 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.913 3.075 . . . . 0.0 111.799 167.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.67 74.19 17.64 Favored Pre-proline 0 C--N 1.356 0.863 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.2 -32.03 17.48 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 CA-C-O 111.352 -3.687 . . . . 0.0 118.818 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -90.13 -178.3 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 CA-C-N 130.578 4.813 . . . . 0.0 112.714 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.8 17.37 Favored Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 128.457 2.703 . . . . 0.0 118.0 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.06 -48.72 15.02 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 125.061 3.841 . . . . 0.0 116.415 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.73 160.97 47.7 Favored 'Trans proline' 0 C--N 1.363 1.304 1 C-N-CA 125.496 4.131 . . . . 0.0 114.198 172.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 tp -103.45 125.58 50.11 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.987 2.115 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -157.46 179.11 9.56 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.11 -178.77 4.78 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.4 m -160.28 160.41 32.52 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 118.743 -2.473 . . . . 0.0 106.029 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttp 83.1 -58.33 0.15 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.671 2.389 . . . . 0.0 111.544 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.66 8.73 44.59 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 126.86 2.064 . . . . 0.0 111.09 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -144.45 -84.26 0.14 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 110.358 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--N 1.361 1.067 0 C-N-CA 124.722 1.209 . . . . 0.0 111.996 -178.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -80.95 -35.52 24.31 Favored Glycine 0 C--N 1.37 2.431 0 C-N-CA 127.629 2.538 . . . . 0.0 113.666 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.09 140.76 26.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 N-CA-C 101.606 -3.479 . . . . 0.0 101.606 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.645 ' O ' HD22 ' A' ' 7' ' ' LEU 0.395 4.6 p-10 -77.98 64.35 3.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -173.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 59' ' ' ALA 0.625 0.7 OUTLIER -77.8 -64.95 1.04 Allowed 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 161.606 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -56.04 -47.01 78.68 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 119.763 3.246 . . . . 0.0 119.763 -157.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.561 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -57.06 -36.67 75.34 Favored Glycine 0 C--N 1.366 2.212 1 C-N-CA 130.967 4.127 . . . . 0.0 112.974 160.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.1 mp -75.55 -37.23 60.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 116.988 -3.654 . . . . 0.0 112.087 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.561 HH22 ' H ' ' A' ' 63' ' ' ALA . 2.0 mtt85 -69.37 -39.83 77.83 Favored 'General case' 0 C--N 1.371 1.506 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -82.34 -28.14 31.79 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -34.95 5.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.434 1.494 . . . . 0.0 111.962 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.82 -14.9 12.48 Favored 'General case' 0 C--N 1.384 2.08 0 CA-C-N 123.713 2.961 . . . . 0.0 113.206 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.0 -95.14 1.99 Allowed Glycine 0 C--N 1.36 1.902 0 C-N-CA 125.0 1.286 . . . . 0.0 115.927 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.79 -46.24 69.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 118.992 2.96 . . . . 0.0 118.992 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -142.28 171.41 14.09 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.602 -1.311 . . . . 0.0 108.064 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HB3' ' CZ2' ' A' ' 53' ' ' TRP . 28.0 mt -81.46 138.82 47.9 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 126.868 2.067 . . . . 0.0 113.626 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.17 175.04 11.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.758 2.972 . . . . 0.0 115.569 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -94.38 159.41 15.12 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 129.028 2.931 . . . . 0.0 109.749 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 p -53.93 -23.61 13.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -61.38 -47.34 86.3 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.826 2.05 . . . . 0.0 112.353 174.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.425 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -79.14 -42.24 23.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 113.302 164.193 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.528 1.6 t80 -69.48 -50.23 47.33 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -166.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.299 59.2 m-85 -76.02 -11.79 60.01 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 122.125 2.239 . . . . 0.0 111.768 170.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.85 -21.95 10.4 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 120.84 3.644 . . . . 0.0 120.84 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -111.73 130.1 55.9 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 119.328 -2.108 . . . . 0.0 109.603 -174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.427 0.9 OUTLIER -62.99 -9.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.01 71.05 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.955 2.102 . . . . 0.0 111.1 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.55 -25.8 10.27 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 171.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -70.75 -18.39 62.78 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.58 2.352 . . . . 0.0 117.114 -178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -65.73 -12.38 53.34 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.087 2.155 . . . . 0.0 114.452 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 10.5 m-85 -113.38 -74.81 0.61 Allowed 'General case' 0 C--N 1.365 1.27 0 CA-C-O 123.024 1.393 . . . . 0.0 110.828 177.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -139.28 148.61 57.62 Favored Pre-proline 0 CA--C 1.485 -1.526 0 N-CA-C 101.411 -3.551 . . . . 0.0 101.411 178.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 72.2 Cg_endo -83.23 -36.49 0.21 Allowed 'Trans proline' 0 N--CA 1.443 -1.478 0 N-CA-C 118.075 2.298 . . . . 0.0 118.075 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.656 0.6 OUTLIER -178.4 -176.61 0.51 Allowed 'General case' 0 C--O 1.242 0.661 0 CA-C-N 123.836 3.016 . . . . 0.0 111.453 -173.465 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.583 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 m-85 -44.3 -20.25 0.03 OUTLIER 'General case' 0 C--N 1.377 1.797 1 C-N-CA 134.979 5.312 . . . . 0.0 116.98 -175.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.39 47.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 130.353 3.461 . . . . 0.0 114.202 173.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 22.8 t80 -74.95 -50.38 16.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.429 1.891 . . . . 0.0 107.226 171.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.442 0.3 OUTLIER -61.93 -30.01 70.61 Favored 'General case' 0 C--N 1.374 1.639 0 N-CA-C 116.697 2.11 . . . . 0.0 116.697 -179.628 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -72.28 -48.19 44.37 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 122.266 2.303 . . . . 0.0 115.541 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.426 0.0 OUTLIER -68.99 -34.49 75.38 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 174.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.41 -29.71 22.67 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -97.75 -9.0 27.38 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 122.539 2.427 . . . . 0.0 110.966 -178.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.49 31.64 62.93 Favored Glycine 0 C--N 1.373 2.587 0 C-N-CA 126.366 1.936 . . . . 0.0 112.897 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 52' ' ' VAL . 12.7 tp -94.93 131.4 40.9 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 123.21 1.481 . . . . 0.0 114.937 -168.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 p -95.88 -9.37 31.56 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.308 2.643 . . . . 0.0 111.271 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.5 m -73.94 -10.34 59.55 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 129.613 3.165 . . . . 0.0 111.615 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.72 4.19 2.08 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 129.833 3.253 . . . . 0.0 117.8 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -8.13 45.05 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.224 2.209 . . . . 0.0 113.727 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 m -143.59 132.26 22.49 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HA ' HG12 ' A' ' 52' ' ' VAL 0.257 1.9 t30 -65.27 -33.11 75.21 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.923 -1.736 . . . . 0.0 115.585 -177.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -72.54 -37.24 68.33 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -72.86 -44.34 61.49 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.162 1.785 . . . . 0.0 114.75 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 49' ' ' ASN . 5.7 p -64.0 -47.89 88.43 Favored 'Isoleucine or valine' 0 C--N 1.382 2.015 0 C-N-CA 125.081 1.352 . . . . 0.0 110.677 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 57' ' ' VAL 0.338 0.0 OUTLIER -63.61 -34.25 77.41 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 125.926 1.691 . . . . 0.0 113.352 175.298 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -65.86 -44.85 84.17 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.496 1.918 . . . . 0.0 114.717 169.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -70.53 -32.42 69.87 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 122.269 2.304 . . . . 0.0 111.824 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 37' ' ' LEU . 2.2 m-85 -64.78 -48.98 72.49 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.28 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 53' ' ' TRP 1.144 28.1 m -58.82 -31.45 44.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 129.014 2.925 . . . . 0.0 115.755 168.059 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -63.56 -41.98 98.38 Favored 'General case' 0 CA--C 1.564 1.519 0 C-N-CA 126.244 1.817 . . . . 0.0 112.371 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR 0.32 . . -61.48 -39.54 91.27 Favored 'General case' 0 C--N 1.39 2.364 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 169.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' CG ' HG12 ' A' ' 57' ' ' VAL . 21.0 t80 -51.58 -13.18 0.22 Allowed 'General case' 0 CA--C 1.563 1.475 1 C-N-CA 131.741 4.017 . . . . 0.0 115.057 -172.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.32 5.95 80.91 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.769 2.128 . . . . 0.0 116.858 165.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.307 0.0 OUTLIER -99.95 -52.43 3.43 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 121.652 2.726 . . . . 0.0 117.47 -178.076 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -77.14 -17.51 58.55 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 119.198 -2.189 . . . . 0.0 113.283 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 tt -80.36 128.43 72.86 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 126.511 1.924 . . . . 0.0 111.633 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -81.29 154.82 18.97 Favored 'Trans proline' 0 CA--C 1.557 1.675 0 C-N-CA 124.18 3.253 . . . . 0.0 111.259 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.28 68.64 7.21 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 125.398 4.065 . . . . 0.0 112.226 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.54 -163.35 0.04 OUTLIER Pre-proline 0 C--N 1.348 0.527 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -65.85 145.57 80.85 Favored 'Trans proline' 0 CA--C 1.563 1.937 1 CA-C-N 128.465 4.059 . . . . 0.0 114.392 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -79.84 178.27 7.45 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.492 3.461 . . . . 0.0 112.907 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.77 149.16 59.44 Favored Pre-proline 0 C--N 1.359 0.988 0 C-N-CA 127.066 2.146 . . . . 0.0 112.616 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -85.21 177.23 5.33 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 124.291 3.328 . . . . 0.0 113.934 -172.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.11 136.55 5.85 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.958 3.105 . . . . 0.0 111.828 173.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -131.69 125.85 33.09 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.266 1.426 . . . . 0.0 107.867 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.7 t -108.59 -171.96 1.96 Allowed 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.037 1.735 . . . . 0.0 108.39 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 101.08 2.97 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 129.198 2.999 . . . . 0.0 108.528 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -112.93 -151.73 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.094 1.358 . . . . 0.0 111.454 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 65.16 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.369 1.439 0 C-N-CA 128.958 2.903 . . . . 0.0 116.863 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 78' ' ' LEU . 2.1 pt? -99.29 -14.11 19.38 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 127.701 2.4 . . . . 0.0 110.869 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -100.19 -99.34 0.24 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.498 2.319 . . . . 0.0 110.728 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--N 1.364 1.231 0 O-C-N 120.258 -1.526 . . . . 0.0 111.758 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.433 -1.323 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.98 -18.72 79.25 Favored Glycine 0 C--N 1.365 2.17 0 C-N-CA 125.569 1.557 . . . . 0.0 116.344 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.6 143.0 35.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HD22 ' A' ' 7' ' ' LEU . 6.5 p-10 -82.44 64.25 7.0 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' CE2' ' HB ' ' A' ' 2' ' ' ILE 0.689 0.1 OUTLIER -78.47 -68.5 0.64 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 119.408 3.114 . . . . 0.0 119.408 159.01 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.46 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.367 38.8 p -57.0 -47.41 80.92 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -160.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -56.67 -34.36 64.38 Favored Glycine 0 C--N 1.362 2.002 0 C-N-CA 128.795 3.093 . . . . 0.0 114.909 165.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 15' ' ' LEU . 1.3 mp -75.76 -42.22 50.97 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 118.5 -2.765 . . . . 0.0 110.712 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.542 HH22 ' H ' ' A' ' 63' ' ' ALA 0.263 0.0 OUTLIER -68.77 -40.64 79.6 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 169.192 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.389 0.6 OUTLIER -82.52 -25.19 33.66 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.47 -37.75 8.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.56 0 C-N-CA 124.578 1.151 . . . . 0.0 110.11 171.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 14.7 m-85 -108.69 -26.18 10.47 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 123.774 2.988 . . . . 0.0 114.396 -171.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.72 -101.34 2.01 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 116.656 1.422 . . . . 0.0 116.656 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.67 -37.42 59.6 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 119.429 3.122 . . . . 0.0 119.429 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -143.89 162.18 36.78 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 104.505 -2.405 . . . . 0.0 104.505 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -94.35 154.16 40.37 Favored Pre-proline 0 C--N 1.355 0.813 0 C-N-CA 125.443 1.497 . . . . 0.0 110.198 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' A' ' 20' ' ' ILE . 34.5 Cg_endo -94.85 -178.15 0.53 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 124.255 3.303 . . . . 0.0 115.061 -168.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 33.1 mt-10 -71.13 164.83 24.83 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.341 2.656 . . . . 0.0 115.543 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.375 5.0 p -63.28 -29.11 70.49 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.458 3.133 . . . . 0.0 119.458 -174.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -54.08 -46.87 72.14 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.072 2.149 . . . . 0.0 113.359 175.574 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 16' ' ' PRO 0.251 0.1 OUTLIER -78.39 -48.23 22.96 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 C-N-CA 124.53 1.132 . . . . 0.0 113.068 165.52 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.417 1.3 t80 -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 7.0 m-85 -76.13 -17.3 59.64 Favored 'General case' 0 CA--C 1.563 1.452 0 O-C-N 120.255 -1.528 . . . . 0.0 113.133 172.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.81 -21.99 10.4 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 120.837 3.643 . . . . 0.0 120.837 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.0 m -112.5 126.93 55.86 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.292 -2.13 . . . . 0.0 109.419 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.415 0.6 OUTLIER -60.38 -8.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.764 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -175.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -40.99 45.77 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 129.174 2.99 . . . . 0.0 112.038 171.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -110.06 -27.61 9.1 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.568 1.947 . . . . 0.0 115.987 170.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -18.12 62.03 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.594 2.758 . . . . 0.0 116.496 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -11.84 53.47 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 127.929 2.492 . . . . 0.0 113.753 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 16.3 m-85 -110.25 -67.69 0.97 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-O 122.676 1.226 . . . . 0.0 113.637 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -146.79 155.19 48.27 Favored Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 -176.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -87.54 -38.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.555 1.566 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.723 0.2 OUTLIER 179.69 -175.74 0.28 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 124.502 3.319 . . . . 0.0 110.861 -177.774 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.7 m-85 -44.24 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.384 2.071 1 C-N-CA 132.432 4.293 . . . . 0.0 118.375 -179.301 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -42.97 56.77 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.613 3.165 . . . . 0.0 113.676 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 25.1 t80 -74.92 -50.75 15.76 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.842 1.657 . . . . 0.0 106.971 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.488 0.3 OUTLIER -61.64 -30.21 70.56 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.35 -41.52 73.05 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 122.13 2.241 . . . . 0.0 114.016 172.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -69.16 -35.04 75.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.228 1.411 . . . . 0.0 114.194 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -80.59 -31.52 36.73 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 125.311 1.445 . . . . 0.0 114.744 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.4 mt -84.27 -8.96 58.87 Favored 'General case' 0 C--N 1.378 1.842 0 O-C-N 118.986 -2.321 . . . . 0.0 113.299 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.37 -12.63 3.25 Favored Glycine 0 C--N 1.36 1.905 0 C-N-CA 125.82 1.676 . . . . 0.0 117.168 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.295 0.5 OUTLIER -105.18 144.6 31.76 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 t -68.44 51.33 0.07 Allowed 'General case' 0 C--N 1.374 1.639 0 C-N-CA 129.955 3.302 . . . . 0.0 114.917 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 52' ' ' VAL . 2.5 p -73.25 -31.99 64.44 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 131.602 3.961 . . . . 0.0 116.044 -177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 6.46 0.89 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.876 2.871 . . . . 0.0 118.116 -171.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -65.3 -49.38 69.7 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 128.474 2.709 . . . . 0.0 114.596 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -138.11 145.24 41.4 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.441 1.497 . . . . 0.0 108.392 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -62.79 -29.55 70.79 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.635 1.574 . . . . 0.0 112.477 177.433 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.567 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 2.4 mpt_? -71.83 -40.51 69.02 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 127.712 2.405 . . . . 0.0 113.217 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -72.55 -47.11 50.91 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.774 1.629 . . . . 0.0 113.489 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 45' ' ' SER 0.27 7.4 p -66.54 -47.21 84.3 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 O-C-N 120.858 -1.151 . . . . 0.0 111.522 176.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.318 0.0 OUTLIER -61.63 -36.16 79.97 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.595 174.345 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -61.73 -43.84 98.07 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.906 2.139 . . . . 0.0 115.267 167.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.13 -40.58 94.65 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 124.043 1.877 . . . . 0.0 112.922 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -61.0 -52.01 66.81 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.273 1.829 . . . . 0.0 114.837 173.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.012 3.0 m -63.7 -31.88 54.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 128.192 2.597 . . . . 0.0 114.791 170.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.55 -36.98 84.37 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.99 1.716 . . . . 0.0 112.589 164.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.345 . . -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.62 ' CG ' HG12 ' A' ' 57' ' ' VAL . 40.0 t80 -49.63 -12.87 0.07 Allowed 'General case' 0 CA--C 1.561 1.382 1 C-N-CA 131.804 4.042 . . . . 0.0 116.508 -161.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.41 -14.88 82.03 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 118.583 -2.573 . . . . 0.0 116.124 163.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -73.8 -32.43 63.74 Favored 'General case' 0 C--N 1.37 1.475 0 N-CA-C 121.342 3.83 . . . . 0.0 121.342 -175.345 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -111.22 29.14 8.07 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.629 2.013 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 tt -132.34 87.75 41.91 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 120.27 -1.518 . . . . 0.0 114.018 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -67.75 -42.72 6.26 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 C-N-CA 124.609 3.539 . . . . 0.0 118.372 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -94.82 -126.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 127.346 3.659 . . . . 0.0 111.396 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.14 126.3 36.88 Favored Pre-proline 0 C--N 1.356 0.853 0 C-N-CA 126.222 1.809 . . . . 0.0 109.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.78 -44.18 43.14 Favored 'Trans proline' 0 C--N 1.359 1.118 1 C-N-CA 125.512 4.141 . . . . 0.0 121.325 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.58 95.06 1.06 Allowed 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.553 4.09 . . . . 0.0 113.058 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.93 141.46 16.02 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 125.344 1.457 . . . . 0.0 108.728 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -85.18 163.63 11.4 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 123.893 3.062 . . . . 0.0 112.774 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.24 134.77 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.515 3.476 . . . . 0.0 111.803 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -130.46 138.1 50.12 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.968 1.707 . . . . 0.0 108.089 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.257 2.1 m 86.55 40.68 0.02 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 128.259 2.624 . . . . 0.0 112.376 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mp -106.83 -64.9 1.13 Allowed 'General case' 0 C--N 1.36 1.053 0 O-C-N 120.406 -1.434 . . . . 0.0 110.427 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.3 t -104.39 27.3 7.97 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.983 2.113 . . . . 0.0 111.142 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 tttp 91.01 79.45 0.01 OUTLIER 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.812 3.245 . . . . 0.0 109.145 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.284 2.6 mm? 76.56 -42.67 0.44 Allowed 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 111.943 -173.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.311 28.8 tt0 -72.96 178.72 4.12 Favored 'General case' 0 CA--C 1.538 0.486 1 C-N-CA 137.392 6.277 . . . . 0.0 113.801 174.176 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 . . . . . 0 C--N 1.365 1.257 0 C-N-CA 126.102 1.761 . . . . 0.0 109.547 168.074 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 123.553 1.644 . . . . 0.0 107.578 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.1 -97.03 1.94 Allowed Glycine 0 C--N 1.359 1.854 0 C-N-CA 126.905 2.193 . . . . 0.0 110.925 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.62 133.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 120.751 -1.441 . . . . 0.0 108.085 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -91.91 70.59 5.56 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 120.257 -1.527 . . . . 0.0 114.86 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.0 m-85 -74.93 -48.74 23.01 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-O 125.404 2.525 . . . . 0.0 112.116 147.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.556 1.5 t -62.32 -46.37 89.03 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.411 3.484 . . . . 0.0 120.052 -163.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.62 -25.22 50.24 Favored Glycine 0 C--N 1.386 3.322 0 CA-C-N 124.318 3.235 . . . . 0.0 116.081 163.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.256 0.4 OUTLIER -77.07 -51.98 10.12 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 119.264 -2.316 . . . . 0.0 113.593 174.791 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.675 HH22 ' H ' ' A' ' 63' ' ' ALA 0.308 0.0 OUTLIER -66.88 -31.84 72.7 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 173.449 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.509 0.6 OUTLIER -83.24 -25.43 31.7 Favored 'General case' 0 C--N 1.35 0.616 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 175.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.12 -34.66 3.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-N 120.243 1.383 . . . . 0.0 110.973 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -114.76 -21.0 10.4 Favored 'General case' 0 C--N 1.372 1.562 0 O-C-N 118.631 -2.543 . . . . 0.0 113.211 -172.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -66.65 2.39 Favored Glycine 0 C--N 1.36 1.882 0 N-CA-C 117.901 1.92 . . . . 0.0 117.901 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.22 -43.78 95.74 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.299 3.04 . . . . 0.0 118.512 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' H ' ' A' ' 15' ' ' LEU . 15.7 ttmt -159.67 -165.18 1.48 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 17.7 mt -100.09 119.36 59.56 Favored Pre-proline 0 N--CA 1.426 -1.65 0 C-N-CA 129.323 3.049 . . . . 0.0 107.449 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' CB ' HD11 ' A' ' 20' ' ' ILE . 97.8 Cg_endo -74.4 -179.0 4.36 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 125.865 4.377 . . . . 0.0 116.245 178.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 7.3 tt0 -79.63 153.57 29.3 Favored 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 130.205 3.402 . . . . 0.0 116.906 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -51.84 -24.56 6.29 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 38.3 p-80 -67.73 -46.55 71.81 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 126.321 1.848 . . . . 0.0 111.292 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 16' ' ' PRO . 3.3 pt -77.88 -40.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 O-C-N 121.05 -1.031 . . . . 0.0 113.184 167.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.514 ' CD1' ' HB1' ' A' ' 27' ' ' ALA 0.376 0.9 OUTLIER -70.88 -50.92 29.89 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 123.916 0.886 . . . . 0.0 109.716 -169.343 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 33' ' ' SER . 11.2 m-85 -76.38 -11.75 59.95 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 121.843 2.111 . . . . 0.0 113.971 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.95 -21.15 10.75 Favored 'General case' 0 C--N 1.383 2.061 0 N-CA-C 119.962 3.319 . . . . 0.0 119.962 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -102.95 138.16 40.2 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.682 -1.887 . . . . 0.0 109.262 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 t -59.12 -28.48 39.08 Favored 'Isoleucine or valine' 0 C--N 1.375 1.71 0 C-N-CA 126.794 2.038 . . . . 0.0 115.583 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.13 14.43 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 130.931 3.692 . . . . 0.0 113.235 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -109.88 -33.21 6.79 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.823 2.049 . . . . 0.0 113.539 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -65.59 -28.14 68.92 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 -175.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -8.24 37.52 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.571 2.748 . . . . 0.0 114.332 175.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.78 -69.19 0.87 Allowed 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 128.731 2.813 . . . . 0.0 113.3 -160.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 2.7 m -157.71 149.23 16.92 Favored Pre-proline 0 CA--C 1.475 -1.928 1 N-CA-C 98.628 -4.582 . . . . 0.0 98.628 169.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -84.54 -38.95 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 N-CA-C 120.755 3.329 . . . . 0.0 120.755 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.479 ' HB3' ' CE2' ' A' ' 22' ' ' PHE 0.782 0.3 OUTLIER 178.81 -175.43 0.21 Allowed 'General case' 0 C--N 1.363 1.172 0 CA-C-N 123.803 3.001 . . . . 0.0 112.902 -177.937 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 m-85 -43.69 -22.43 0.05 OUTLIER 'General case' 0 N--CA 1.499 2.003 1 C-N-CA 131.852 4.061 . . . . 0.0 119.116 -177.304 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.2 63.34 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 130.288 3.435 . . . . 0.0 113.645 173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 27.3 t80 -74.69 -41.76 59.66 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 128.274 2.63 . . . . 0.0 106.5 171.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 6.6 mt -59.82 -42.19 92.97 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -41.76 97.58 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 175.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -68.78 -37.96 79.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 126.034 1.733 . . . . 0.0 114.497 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.86 -34.82 64.64 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 125.675 1.59 . . . . 0.0 113.624 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.1 -9.86 54.31 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 120.252 -1.53 . . . . 0.0 114.339 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.01 -12.7 2.9 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 117.319 1.688 . . . . 0.0 117.319 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.71 145.23 44.57 Favored 'General case' 0 C--N 1.365 1.283 0 C-N-CA 126.173 1.789 . . . . 0.0 113.731 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -63.68 42.7 0.01 OUTLIER 'General case' 0 C--N 1.372 1.574 0 C-N-CA 131.28 3.832 . . . . 0.0 116.954 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 3.1 p -73.28 -34.93 66.05 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 131.086 3.754 . . . . 0.0 113.12 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.38 4.22 1.87 Allowed 'General case' 0 C--N 1.368 1.37 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -67.5 -25.04 65.66 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.607 2.763 . . . . 0.0 113.628 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.1 m -147.68 129.28 15.05 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.72 -1.863 . . . . 0.0 107.946 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -48.44 -50.97 29.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.884 2.874 . . . . 0.0 113.437 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.713 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -68.09 -34.55 76.63 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 130.674 3.589 . . . . 0.0 115.936 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -73.55 -46.3 48.32 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 125.972 1.709 . . . . 0.0 113.006 172.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.26 7.0 p -65.23 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.387 2.207 0 C-N-CA 124.5 1.12 . . . . 0.0 110.953 174.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.285 0.0 OUTLIER -62.28 -47.91 82.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.306 2.242 . . . . 0.0 112.655 170.089 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.88 -45.24 70.99 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 122.872 2.578 . . . . 0.0 115.721 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.1 -42.12 94.3 Favored 'General case' 0 C--N 1.378 1.848 0 CA-C-O 123.591 1.662 . . . . 0.0 112.932 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -61.23 -46.6 89.73 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG12 ' CG ' ' A' ' 60' ' ' TYR 0.93 1.6 m -66.57 -32.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 129.284 3.034 . . . . 0.0 114.273 171.045 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.02 -37.16 86.08 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 125.889 1.676 . . . . 0.0 112.555 163.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.327 . . -63.76 -46.17 86.48 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.547 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CG ' HG12 ' A' ' 57' ' ' VAL . 47.4 t80 -49.33 -13.04 0.06 Allowed 'General case' 0 C--N 1.36 1.06 1 C-N-CA 133.122 4.569 . . . . 0.0 116.632 -161.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.37 6.2 61.37 Favored Glycine 0 CA--C 1.541 1.661 0 O-C-N 119.549 -1.969 . . . . 0.0 117.14 161.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -90.26 -46.77 8.2 Favored 'General case' 0 C--N 1.371 1.538 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -177.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -103.0 29.55 5.38 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 118.691 -2.506 . . . . 0.0 113.332 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -105.16 134.57 19.59 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.515 1.926 . . . . 0.0 109.08 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -84.71 160.24 12.28 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 123.545 2.83 . . . . 0.0 111.315 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.36 70.1 7.36 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.963 3.775 . . . . 0.0 110.775 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.02 164.35 21.0 Favored Pre-proline 0 N--CA 1.444 -0.756 0 C-N-CA 127.507 2.323 . . . . 0.0 106.863 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.57 176.0 10.04 Favored 'Trans proline' 0 CA--C 1.554 1.518 0 C-N-CA 124.628 3.552 . . . . 0.0 112.325 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -64.88 122.95 10.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 124.799 3.666 . . . . 0.0 114.802 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.69 155.3 81.48 Favored Pre-proline 0 C--N 1.356 0.868 0 C-N-CA 125.41 1.484 . . . . 0.0 110.006 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.3 168.26 15.03 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 124.897 3.732 . . . . 0.0 111.979 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -80.6 145.46 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.192 3.262 . . . . 0.0 113.192 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.12 132.51 52.92 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.614 1.966 . . . . 0.0 105.862 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.5 p -98.12 -87.36 0.33 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.516 1.126 . . . . 0.0 111.794 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.16 138.03 20.1 Favored 'General case' 0 N--CA 1.449 -0.494 1 N-CA-C 99.106 -4.405 . . . . 0.0 99.106 177.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -110.45 10.57 23.26 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.901 2.137 . . . . 0.0 114.952 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.19 86.2 7.05 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.483 1.513 . . . . 0.0 112.075 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.259 25.0 tp 100.12 -35.74 0.01 OUTLIER 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.374 3.07 . . . . 0.0 111.388 -178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -69.78 -45.94 66.9 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 130.16 3.384 . . . . 0.0 114.407 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.6 t60 . . . . . 0 C--N 1.363 1.185 0 C-N-CA 128.563 2.745 . . . . 0.0 114.439 -178.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.1 60.44 Favored Glycine 0 C--N 1.368 2.345 0 C-N-CA 127.619 2.533 . . . . 0.0 116.622 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.6 127.57 73.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 171.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' CB ' ' HB ' ' A' ' 31' ' ' VAL . 50.9 t0 -79.15 75.23 5.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' ALA 0.263 1.8 m-85 -76.3 -54.68 6.42 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.789 1.636 . . . . 0.0 114.599 149.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.503 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.452 0.2 OUTLIER -56.81 -46.77 81.41 Favored 'General case' 0 C--N 1.378 1.832 1 N-CA-C 122.848 4.388 . . . . 0.0 122.848 -163.029 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -57.8 -29.16 61.29 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 123.679 2.945 . . . . 0.0 112.787 166.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -77.2 -44.16 31.08 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 119.383 -2.245 . . . . 0.0 112.396 176.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' HG3' ' HA ' ' A' ' 5' ' ' SER 0.344 0.0 OUTLIER -69.06 -35.6 76.72 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 173.062 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -81.72 -33.31 31.17 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 175.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 4.3 mp -88.97 -39.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.373 1.597 0 O-C-N 120.189 -1.569 . . . . 0.0 112.88 174.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -109.94 -19.71 13.0 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 123.054 2.661 . . . . 0.0 112.957 -171.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.46 -85.46 1.55 Allowed Glycine 0 C--N 1.358 1.768 0 C-N-CA 125.091 1.329 . . . . 0.0 115.847 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.68 -46.26 86.32 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.791 2.836 . . . . 0.0 117.908 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 8.7 ttmt -139.19 -167.08 2.16 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 124.829 2.252 . . . . 0.0 110.919 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 7' ' ' LEU . 22.1 mt -105.5 127.73 27.96 Favored Pre-proline 0 N--CA 1.428 -1.555 0 C-N-CA 130.906 3.682 . . . . 0.0 108.574 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.93 -179.83 5.0 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 124.818 3.678 . . . . 0.0 116.917 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 33.6 tt0 -80.78 148.72 29.91 Favored 'General case' 0 N--CA 1.431 -1.397 1 C-N-CA 134.0 4.92 . . . . 0.0 111.419 177.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -25.86 19.32 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 121.157 3.762 . . . . 0.0 121.157 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -63.08 -47.3 83.49 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.809 2.444 . . . . 0.0 112.462 177.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.601 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -78.32 -41.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 C-N-CA 125.226 1.41 . . . . 0.0 111.945 166.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CD2' ' HB1' ' A' ' 27' ' ' ALA 0.376 0.7 OUTLIER -67.38 -51.86 46.94 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.831 -169.169 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 49.6 m-85 -75.15 -16.66 60.51 Favored 'General case' 0 C--N 1.372 1.559 0 CA-C-N 122.241 2.291 . . . . 0.0 112.654 175.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.61 -20.96 11.51 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -101.65 134.17 45.21 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 119.421 -2.049 . . . . 0.0 110.46 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.89 -25.41 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 129.866 3.266 . . . . 0.0 114.925 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.85 24.17 Favored 'General case' 0 C--N 1.373 1.613 0 C-N-CA 130.825 3.65 . . . . 0.0 111.316 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB1' ' CD2' ' A' ' 21' ' ' PHE . . . -109.9 -39.54 5.04 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 169.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -61.34 -18.58 59.3 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -63.04 -19.55 64.48 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.326 2.251 . . . . 0.0 115.234 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -112.59 -82.37 0.59 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 128.851 2.86 . . . . 0.0 113.558 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 5.6 t -132.41 135.07 25.67 Favored Pre-proline 0 CA--C 1.48 -1.714 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.37 -37.3 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.515 0 CA-C-N 124.002 2.465 . . . . 0.0 117.138 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.8 0.6 OUTLIER -179.42 -175.9 0.37 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 124.076 3.125 . . . . 0.0 114.089 -176.402 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 22.3 m-85 -43.91 -21.57 0.04 OUTLIER 'General case' 0 C--N 1.376 1.719 1 C-N-CA 133.443 4.697 . . . . 0.0 117.625 -177.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.32 51.11 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 130.382 3.473 . . . . 0.0 114.235 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 31' ' ' VAL . 27.3 t80 -74.63 -48.61 25.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.19 2.196 . . . . 0.0 106.928 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.487 0.4 OUTLIER -61.92 -29.88 70.51 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 117.406 2.372 . . . . 0.0 117.406 178.235 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -70.56 -44.63 67.03 Favored 'General case' 0 C--N 1.379 1.874 0 O-C-N 119.335 -2.103 . . . . 0.0 114.882 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -69.04 -34.38 75.11 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.062 1.745 . . . . 0.0 114.205 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.5 -40.12 64.32 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 125.384 1.474 . . . . 0.0 114.275 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.84 -10.41 45.48 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 117.002 -1.879 . . . . 0.0 113.809 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.41 25.12 75.98 Favored Glycine 0 C--N 1.371 2.491 0 CA-C-N 119.929 1.24 . . . . 0.0 112.364 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 45' ' ' SER . 13.7 tp -102.21 149.21 24.53 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.749 1.619 . . . . 0.0 115.165 -164.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 m -101.89 -1.0 33.06 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 126.915 2.086 . . . . 0.0 113.086 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.41 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 35.0 m -73.04 -16.89 61.48 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.213 2.205 . . . . 0.0 116.044 -175.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . . . -69.79 4.28 2.07 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -79.78 -23.41 42.19 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.495 2.318 . . . . 0.0 113.539 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.2 m -133.28 126.1 30.73 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -57.54 -36.44 71.62 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -33.96 69.6 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.182 2.193 . . . . 0.0 113.289 176.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -72.85 -46.79 51.05 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.089 2.156 . . . . 0.0 113.676 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 46' ' ' ALA . 13.1 p -67.5 -44.74 86.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.084 0 O-C-N 120.513 -1.367 . . . . 0.0 110.972 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.351 0.0 OUTLIER -62.93 -34.6 77.79 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.388 1.075 . . . . 0.0 112.778 173.873 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -63.28 -45.66 90.44 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 122.131 2.241 . . . . 0.0 114.538 167.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -67.24 -35.4 79.47 Favored 'General case' 0 C--N 1.378 1.816 0 CA-C-N 121.485 1.948 . . . . 0.0 113.605 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.63 -49.12 69.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.351 1.461 . . . . 0.0 114.074 173.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.616 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.094 2.7 m -61.46 -31.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 128.564 2.745 . . . . 0.0 114.961 168.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.63 -40.22 96.34 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 125.515 1.526 . . . . 0.0 112.737 163.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.342 . . -62.03 -39.44 92.33 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.202 1.801 . . . . 0.0 115.602 170.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CG ' HG12 ' A' ' 57' ' ' VAL . 24.8 t80 -51.17 -13.34 0.17 Allowed 'General case' 0 CA--C 1.553 1.085 1 C-N-CA 131.826 4.051 . . . . 0.0 115.758 -169.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.82 4.75 75.83 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.59 2.043 . . . . 0.0 116.147 166.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.323 0.0 OUTLIER -93.01 -52.23 4.68 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 121.406 2.603 . . . . 0.0 116.158 -177.404 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -80.59 0.81 32.36 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 119.52 -1.987 . . . . 0.0 114.458 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.92 85.94 2.15 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 125.938 1.695 . . . . 0.0 112.666 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -80.42 -179.7 5.42 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 124.004 3.136 . . . . 0.0 110.431 173.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.68 71.39 4.78 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.948 3.099 . . . . 0.0 112.57 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.35 173.79 3.98 Favored Pre-proline 0 C--N 1.355 0.847 0 C-N-CA 128.296 2.638 . . . . 0.0 104.97 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -90.26 102.32 0.3 Allowed 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 124.299 3.333 . . . . 0.0 111.849 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.8 70.1 6.62 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 C-N-CA 124.822 3.682 . . . . 0.0 114.404 -176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' O ' HG21 ' A' ' 9' ' ' THR . . . 83.11 100.04 0.03 OUTLIER Pre-proline 0 C--N 1.362 1.141 0 C-N-CA 131.4 3.88 . . . . 0.0 112.353 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.89 154.2 19.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 123.465 2.777 . . . . 0.0 111.844 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.86 133.75 15.66 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 124.154 3.236 . . . . 0.0 111.295 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -122.43 125.44 45.85 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.23 -1.544 . . . . 0.0 111.32 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 p -105.11 127.15 52.76 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 172.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.02 69.04 4.18 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.055 -2.278 . . . . 0.0 115.043 -174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t 47.56 -143.02 0.41 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 130.916 3.686 . . . . 0.0 119.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -108.3 -49.1 3.24 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 129.269 3.027 . . . . 0.0 110.164 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.78 31.44 6.74 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.007 2.123 . . . . 0.0 109.723 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.752 2.1 mp0 61.66 105.31 0.02 OUTLIER 'General case' 0 C--N 1.352 0.674 1 C-N-CA 133.161 4.585 . . . . 0.0 119.484 -178.493 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.342 0.3 OUTLIER . . . . . 0 C--N 1.361 1.066 1 C-N-CA 133.783 4.833 . . . . 0.0 117.472 -176.803 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.44 -0.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 64.01 -58.77 0.06 OUTLIER Glycine 0 C--N 1.361 1.969 0 C-N-CA 129.264 3.316 . . . . 0.0 117.982 174.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.475 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 1.4 mt -123.56 142.02 41.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 25.1 t0 -81.92 68.78 8.43 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 118.542 2.793 . . . . 0.0 118.542 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.478 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.52 0.3 OUTLIER -76.57 -67.35 0.7 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 129.743 3.217 . . . . 0.0 118.988 155.062 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.303 3.8 m -56.6 -47.05 80.43 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.24 -22.63 69.31 Favored Glycine 0 C--N 1.377 2.836 0 CA-C-N 122.772 2.533 . . . . 0.0 114.07 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 7' ' ' LEU 0.351 2.0 mp -76.95 -44.25 32.09 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 116.952 -3.675 . . . . 0.0 111.267 176.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.478 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.305 0.0 OUTLIER -69.76 -42.28 74.07 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 170.435 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.409 0.6 OUTLIER -82.81 -21.96 34.35 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -101.84 -32.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.314 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.964 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.4 -30.45 5.55 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 124.021 3.101 . . . . 0.0 112.987 -173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.52 -112.86 2.76 Favored Glycine 0 C--N 1.359 1.83 0 N-CA-C 118.875 2.31 . . . . 0.0 118.875 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 120.836 3.643 . . . . 0.0 120.836 -168.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -142.27 176.69 8.79 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 102.762 -3.051 . . . . 0.0 102.762 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 56' ' ' PHE . 13.2 mt -76.48 138.45 67.3 Favored Pre-proline 0 C--N 1.355 0.815 0 O-C-N 120.698 -1.251 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' CB ' HD11 ' A' ' 20' ' ' ILE . 15.5 Cg_endo -85.19 173.29 7.93 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.553 2.835 . . . . 0.0 112.971 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.2 mp0 -61.19 152.91 27.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.765 2.826 . . . . 0.0 117.037 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.356 2.8 p -58.26 -23.68 56.91 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 120.269 3.433 . . . . 0.0 120.269 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 45.3 p-80 -63.65 -46.6 84.89 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 127.8 2.44 . . . . 0.0 111.116 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' CB ' ' A' ' 16' ' ' PRO 0.261 14.0 pt -77.87 -43.48 28.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.493 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 165.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.477 1.0 OUTLIER -62.14 -53.79 50.36 Favored 'General case' 0 C--N 1.373 1.596 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -174.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 32.2 m-85 -75.22 -17.54 60.32 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 122.757 2.526 . . . . 0.0 112.246 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.41 -20.52 11.76 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.2 m -100.99 129.12 46.78 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 121.286 1.857 . . . . 0.0 111.236 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -49.52 -36.34 10.14 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.281 3.433 . . . . 0.0 114.947 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.6 -32.04 11.93 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 129.163 2.985 . . . . 0.0 114.075 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.06 -39.7 4.95 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 121.585 -0.697 . . . . 0.0 112.067 166.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -60.7 -19.02 57.66 Favored 'General case' 0 C--N 1.375 1.699 0 O-C-N 118.565 -2.584 . . . . 0.0 117.278 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -66.99 -14.88 63.32 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 126.954 2.102 . . . . 0.0 115.085 175.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.412 ' CD2' ' HG3' ' A' ' 29' ' ' LYS . 3.3 m-30 -113.65 -60.8 1.83 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.136 2.974 . . . . 0.0 115.104 -170.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 3.1 t -158.7 137.92 8.25 Favored Pre-proline 0 CA--C 1.491 -1.325 0 N-CA-C 101.11 -3.663 . . . . 0.0 101.11 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.68 -38.22 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 CA-C-N 125.144 2.873 . . . . 0.0 118.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.954 0.6 OUTLIER 179.55 -175.1 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 123.933 3.06 . . . . 0.0 114.294 -177.92 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 18.8 m-85 -43.49 -24.72 0.12 Allowed 'General case' 0 N--CA 1.503 2.192 1 C-N-CA 132.523 4.329 . . . . 0.0 118.3 -175.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.87 67.83 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.819 3.248 . . . . 0.0 113.927 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HG22 ' A' ' 31' ' ' VAL . 4.7 t80 -74.64 -37.19 62.85 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 127.352 2.261 . . . . 0.0 107.479 172.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 8.4 mt -59.84 -37.02 78.07 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.77 -39.99 84.08 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -68.41 -37.83 80.71 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 125.778 1.631 . . . . 0.0 113.166 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.32 -48.83 39.08 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.408 2.283 . . . . 0.0 114.525 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mp -110.47 -8.7 14.63 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 116.74 -1.984 . . . . 0.0 115.125 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 31.29 64.38 Favored Glycine 0 C--N 1.375 2.725 0 CA-C-N 120.883 1.674 . . . . 0.0 114.118 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -84.98 133.04 34.27 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 120.058 3.355 . . . . 0.0 120.058 -166.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 p -85.13 -1.39 56.82 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 128.722 2.809 . . . . 0.0 110.899 170.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -73.22 -24.43 60.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.599 3.56 . . . . 0.0 111.352 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.66 3.99 2.16 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 -171.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -82.35 -15.14 53.88 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.928 2.491 . . . . 0.0 112.671 173.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.5 m -147.6 140.47 24.89 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.743 -1.848 . . . . 0.0 109.075 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.46 -46.8 83.23 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 125.929 1.692 . . . . 0.0 113.911 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.46 -34.3 75.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.094 2.158 . . . . 0.0 113.887 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -73.65 -46.88 43.92 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.597 2.359 . . . . 0.0 115.292 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.14 -40.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.376 1.724 0 O-C-N 120.221 -1.549 . . . . 0.0 111.108 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -64.33 -34.27 77.75 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.533 1.533 . . . . 0.0 113.685 169.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -67.71 -43.33 80.28 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.291 2.236 . . . . 0.0 114.357 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.36 -38.51 90.27 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 124.446 2.07 . . . . 0.0 110.684 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 2.8 m-85 -64.03 -42.73 96.98 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 113.439 -1.71 . . . . 0.0 114.554 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.106 25.1 m -67.2 -32.02 55.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 130.182 3.393 . . . . 0.0 115.571 172.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.78 -39.73 95.14 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.446 2.299 . . . . 0.0 110.695 162.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.321 . . -64.29 -43.49 94.6 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 167.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CG ' HG12 ' A' ' 57' ' ' VAL . 12.4 t80 -51.21 -13.84 0.21 Allowed 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 131.918 4.087 . . . . 0.0 114.67 -167.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.53 5.98 84.14 Favored Glycine 0 CA--C 1.544 1.87 0 O-C-N 119.241 -2.162 . . . . 0.0 118.28 162.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -94.0 -52.61 4.33 Favored 'General case' 0 C--N 1.376 1.756 0 CA-C-N 121.843 2.822 . . . . 0.0 115.862 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -93.06 29.38 1.87 Allowed 'General case' 0 C--N 1.363 1.155 0 O-C-N 119.044 -2.285 . . . . 0.0 112.25 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tp -83.92 133.83 45.2 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 127.902 2.481 . . . . 0.0 113.301 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -85.67 158.24 10.56 Favored 'Trans proline' 0 CA--C 1.557 1.656 0 C-N-CA 123.891 3.061 . . . . 0.0 110.978 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.43 65.23 8.74 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 124.549 3.499 . . . . 0.0 112.024 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.14 166.66 10.49 Favored Pre-proline 0 C--N 1.356 0.878 0 C-N-CA 126.155 1.782 . . . . 0.0 106.349 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.48 164.78 28.19 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 C-N-CA 124.446 3.431 . . . . 0.0 113.251 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.4 73.27 5.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.623 3.549 . . . . 0.0 112.828 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.35 170.04 12.26 Favored Pre-proline 0 C--N 1.357 0.923 0 C-N-CA 128.477 2.711 . . . . 0.0 110.993 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -69.31 151.14 71.65 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 124.059 3.173 . . . . 0.0 115.113 -174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 145.54 31.68 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 124.428 3.419 . . . . 0.0 113.021 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.8 tp -114.47 146.27 40.87 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.27 1.828 . . . . 0.0 108.353 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.262 6.4 m 82.0 40.95 0.04 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.394 3.078 . . . . 0.0 110.54 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.4 pt? -97.3 -25.34 15.29 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.9 p -122.96 -68.66 0.87 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-N 120.984 1.72 . . . . 0.0 113.504 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -36.95 -70.04 0.1 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 131.248 3.819 . . . . 0.0 118.52 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.53 51.39 0.74 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.996 1.718 . . . . 0.0 107.275 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.97 -134.95 0.03 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.724 1.61 . . . . 0.0 107.532 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 . . . . . 0 C--N 1.358 0.938 0 C-N-CA 124.758 1.223 . . . . 0.0 108.494 178.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -73.12 -54.13 7.24 Favored Glycine 0 C--N 1.369 2.362 0 C-N-CA 126.015 1.769 . . . . 0.0 115.403 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 mp -108.57 140.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 170.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 31' ' ' VAL . 31.1 t0 -82.94 75.6 9.82 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 120.087 -1.633 . . . . 0.0 111.996 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.501 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.398 6.9 m-85 -77.16 -59.36 2.81 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.587 1.955 . . . . 0.0 113.757 147.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.935 4.1 p -61.9 -36.67 81.99 Favored 'General case' 0 C--N 1.38 1.897 1 N-CA-C 124.115 4.857 . . . . 0.0 124.115 -166.763 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -63.09 -26.59 69.34 Favored Glycine 0 C--N 1.381 3.059 1 CA-C-N 126.216 4.098 . . . . 0.0 113.379 163.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' HG ' ' HD2' ' A' ' 16' ' ' PRO 0.325 0.0 OUTLIER -77.03 -48.65 17.31 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 119.97 -1.9 . . . . 0.0 111.939 174.549 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.531 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.327 0.0 OUTLIER -68.32 -34.55 76.34 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.629 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.408 0.4 OUTLIER -82.23 -31.86 30.02 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 2.6 mp -86.09 -39.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.379 1.881 0 CA-C-N 121.491 1.95 . . . . 0.0 112.274 172.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.644 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 81.7 m-85 -109.95 -16.48 13.83 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 122.833 2.561 . . . . 0.0 113.455 -170.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.4 -77.24 1.74 Allowed Glycine 0 C--N 1.36 1.872 0 C-N-CA 125.392 1.472 . . . . 0.0 115.477 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -51.04 71.17 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 129.518 3.127 . . . . 0.0 118.566 -173.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 6.8 ttmm -148.3 -153.61 0.5 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-O 124.238 1.971 . . . . 0.0 112.181 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 57' ' ' VAL . 16.2 mt -113.53 133.16 22.23 Favored Pre-proline 0 N--CA 1.441 -0.91 0 C-N-CA 129.145 2.978 . . . . 0.0 110.205 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.557 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 62.0 Cg_endo -80.42 178.27 7.26 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 125.06 3.84 . . . . 0.0 114.251 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -94.87 161.86 13.99 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 129.605 3.162 . . . . 0.0 111.397 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.253 0.8 OUTLIER -51.34 -23.68 3.93 Favored 'General case' 0 C--N 1.355 0.835 1 N-CA-C 124.501 5.0 . . . . 0.0 124.501 -171.64 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -72.15 -47.66 49.3 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 122.502 2.41 . . . . 0.0 111.612 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 11' ' ' PHE 0.335 0.0 OUTLIER -77.76 -34.61 20.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 126.244 1.817 . . . . 0.0 111.244 173.059 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.456 0.5 OUTLIER -71.51 -54.01 11.95 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.775 174.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.301 58.2 m-85 -75.21 -27.01 59.4 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-N 124.965 3.529 . . . . 0.0 114.216 176.334 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.05 11.42 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 m -96.59 144.55 26.54 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.724 -1.86 . . . . 0.0 109.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.374 0.2 OUTLIER -67.38 -3.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 O-C-N 119.461 -2.024 . . . . 0.0 116.44 -175.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.4 -44.83 55.16 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 129.772 3.229 . . . . 0.0 111.387 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.21 -38.67 5.21 Favored 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 129.744 3.218 . . . . 0.0 118.327 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -22.28 5.11 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -169.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -15.14 60.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.17 2.588 . . . . 0.0 113.082 173.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -106.01 -108.93 0.3 Allowed 'General case' 0 C--N 1.367 1.363 0 C-N-CA 126.336 1.854 . . . . 0.0 107.841 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' H ' ' HB2' ' A' ' 3' ' ' ASP . 1.1 m -115.67 145.03 33.69 Favored Pre-proline 0 CA--C 1.476 -1.892 0 N-CA-C 100.861 -3.755 . . . . 0.0 100.861 174.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.3 Cg_endo -80.67 -37.42 0.36 Allowed 'Trans proline' 0 N--CA 1.432 -2.132 0 CA-C-O 115.678 -1.884 . . . . 0.0 115.287 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.673 0.6 OUTLIER -178.8 -175.49 0.41 Allowed 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 124.835 3.47 . . . . 0.0 112.983 -174.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.737 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.2 m-85 -44.31 -20.58 0.03 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 131.649 3.98 . . . . 0.0 117.269 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.59 68.04 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 128.075 2.55 . . . . 0.0 114.547 171.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 57.4 t80 -74.82 -51.0 15.17 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.072 1.749 . . . . 0.0 107.328 170.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.737 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.571 4.2 pp -64.62 -29.49 70.5 Favored 'General case' 0 C--N 1.363 1.166 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -175.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttp-105 -72.46 -48.19 42.87 Favored 'General case' 0 C--N 1.377 1.768 0 O-C-N 119.378 -2.076 . . . . 0.0 114.993 172.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -68.96 -34.72 75.8 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 124.638 1.175 . . . . 0.0 113.847 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -75.89 -35.81 59.71 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 124.996 1.318 . . . . 0.0 113.871 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.63 -10.34 54.06 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 122.013 2.188 . . . . 0.0 112.232 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.6 30.64 66.19 Favored Glycine 0 C--N 1.374 2.66 0 C-N-CA 126.794 2.14 . . . . 0.0 111.916 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -115.97 149.07 39.38 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 -159.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -96.79 31.18 2.41 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.064 2.546 . . . . 0.0 112.308 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 4.2 p -73.19 -8.99 58.2 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 131.404 3.882 . . . . 0.0 113.228 174.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.18 4.6 1.2 Allowed 'General case' 0 C--N 1.354 0.795 1 C-N-CA 134.003 4.921 . . . . 0.0 117.64 -169.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -75.48 -58.41 3.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 130.29 3.436 . . . . 0.0 114.981 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.6 p -142.47 152.79 43.07 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.587 1.955 . . . . 0.0 109.878 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 4.1 t30 -61.58 -27.15 68.43 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.397 1.879 . . . . 0.0 113.011 175.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -72.63 -43.89 62.63 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 128.428 2.691 . . . . 0.0 112.352 176.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.36 -47.09 52.25 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 126.889 2.076 . . . . 0.0 113.842 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.285 9.0 p -64.86 -49.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.919 174.153 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.453 0.0 OUTLIER -59.52 -32.09 69.98 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 125.321 1.448 . . . . 0.0 114.906 173.136 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -63.44 -51.05 67.33 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.407 -1.433 . . . . 0.0 114.238 167.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -67.27 -36.74 82.22 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-O 124.052 1.882 . . . . 0.0 113.576 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.551 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 123.785 1.755 . . . . 0.0 112.889 175.151 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.148 1.0 OUTLIER -65.9 -30.27 49.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 127.957 2.503 . . . . 0.0 114.425 174.106 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.56 -42.67 99.69 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 124.954 1.302 . . . . 0.0 113.622 160.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 4' ' ' TYR 0.324 . . -60.32 -35.71 76.25 Favored 'General case' 0 C--N 1.394 2.503 0 O-C-N 119.565 -1.959 . . . . 0.0 114.816 169.469 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CG ' HG22 ' A' ' 57' ' ' VAL . 20.0 t80 -51.79 -13.52 0.28 Allowed 'General case' 0 CA--C 1.568 1.654 0 C-N-CA 129.628 3.171 . . . . 0.0 115.501 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.36 6.39 57.76 Favored Glycine 0 C--N 1.361 1.925 0 C-N-CA 127.486 2.469 . . . . 0.0 116.243 168.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -96.31 -41.85 8.45 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 121.741 2.771 . . . . 0.0 117.033 -176.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -97.35 -4.43 38.53 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.919 2.088 . . . . 0.0 113.698 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 113.23 10.29 Favored Pre-proline 0 CA--C 1.562 1.418 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.84 157.34 27.55 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 C-N-CA 123.264 2.643 . . . . 0.0 110.796 171.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.06 39.02 0.72 Allowed 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 124.455 3.436 . . . . 0.0 114.399 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.74 65.33 0.45 Allowed Pre-proline 0 C--N 1.358 0.965 0 C-N-CA 125.504 1.522 . . . . 0.0 112.265 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.33 114.85 3.6 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 C-N-CA 124.416 3.411 . . . . 0.0 111.465 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -88.65 178.11 2.93 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.793 2.995 . . . . 0.0 112.545 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.14 -48.66 26.66 Favored Pre-proline 0 C--N 1.365 1.279 0 C-N-CA 126.997 2.119 . . . . 0.0 116.503 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -84.25 141.43 9.14 Favored 'Trans proline' 0 CA--C 1.555 1.548 0 CA-C-N 125.417 2.97 . . . . 0.0 111.332 173.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.3 153.99 40.78 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.635 3.557 . . . . 0.0 112.809 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -113.39 103.77 11.63 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 124.747 1.219 . . . . 0.0 111.935 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -98.89 -68.2 0.81 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.131 1.773 . . . . 0.0 107.179 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -142.47 54.02 1.43 Allowed 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.8 t -112.18 -145.76 0.4 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.939 1.695 . . . . 0.0 111.132 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 tptp 68.91 -67.99 0.2 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 131.11 3.764 . . . . 0.0 114.246 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.46 -22.99 22.22 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.218 1.807 . . . . 0.0 110.308 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.77 50.23 0.78 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 128.829 2.852 . . . . 0.0 105.899 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.358 0.953 0 N-CA-C 119.178 3.029 . . . . 0.0 119.178 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.6 -35.72 21.8 Favored Glycine 0 C--N 1.365 2.161 0 C-N-CA 127.133 2.301 . . . . 0.0 111.106 172.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.93 134.31 59.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 168.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' CG ' HD11 ' A' ' 7' ' ' LEU . 28.2 t0 -79.08 68.21 4.98 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 -174.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.535 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.467 2.2 m-85 -76.05 -62.85 1.46 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 129.053 2.941 . . . . 0.0 116.124 156.327 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.454 1.7 m -56.59 -46.51 80.79 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 120.664 3.579 . . . . 0.0 120.664 -163.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -60.07 -29.33 67.98 Favored Glycine 0 C--N 1.38 3.021 0 CA-C-N 124.933 3.515 . . . . 0.0 115.214 170.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.744 HD12 ' H ' ' A' ' 7' ' ' LEU 0.265 0.8 OUTLIER -76.28 -45.46 32.48 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 129.484 3.113 . . . . 0.0 108.857 177.543 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.368 0.4 OUTLIER -69.08 -40.87 78.17 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.871 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.406 0.6 OUTLIER -82.26 -22.6 35.72 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -179.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 4.3 mp -99.36 -36.85 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 120.039 1.291 . . . . 0.0 110.422 170.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 7' ' ' LEU . 10.9 m-85 -109.93 -21.04 12.53 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 123.7 2.954 . . . . 0.0 113.708 -170.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.54 -93.03 1.78 Allowed Glycine 0 C--N 1.357 1.708 0 N-CA-C 116.834 1.493 . . . . 0.0 116.834 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -71.11 -47.8 55.91 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 120.338 3.459 . . . . 0.0 120.338 -170.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -141.31 157.24 45.47 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.05 150.09 60.58 Favored Pre-proline 0 C--N 1.359 0.983 0 C-N-CA 125.173 1.389 . . . . 0.0 111.552 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD11 ' A' ' 20' ' ' ILE . 95.8 Cg_endo -72.61 -179.12 3.85 Favored 'Trans proline' 0 N--CA 1.446 -1.321 0 C-N-CA 123.988 3.125 . . . . 0.0 119.105 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.7 mp0 -81.69 160.55 23.66 Favored 'General case' 0 N--CA 1.427 -1.595 1 C-N-CA 134.191 4.996 . . . . 0.0 108.331 175.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -62.37 -23.68 66.95 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 54.9 p-80 -65.28 -47.7 75.73 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.829 1.652 . . . . 0.0 112.672 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 16' ' ' PRO 0.315 9.8 pt -78.72 -34.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.448 0 O-C-N 120.933 -1.104 . . . . 0.0 113.722 164.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' HB2' ' HG2' ' A' ' 16' ' ' PRO 0.391 1.1 t80 -71.33 -48.51 49.94 Favored 'General case' 0 C--N 1.376 1.732 0 O-C-N 120.202 -1.561 . . . . 0.0 112.893 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 11.7 m-85 -75.92 -13.79 60.26 Favored 'General case' 0 C--N 1.371 1.527 0 CA-C-N 121.267 1.849 . . . . 0.0 113.195 174.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.18 -21.05 11.2 Favored 'General case' 0 C--N 1.375 1.695 0 N-CA-C 118.613 2.819 . . . . 0.0 118.613 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 m -104.93 124.82 50.16 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 119.397 -2.064 . . . . 0.0 110.318 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' LYS . 5.4 t -61.73 -17.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 128.343 2.657 . . . . 0.0 115.069 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.16 33.05 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 130.151 3.38 . . . . 0.0 110.953 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.33 -39.1 5.32 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.347 1.059 . . . . 0.0 111.805 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -18.56 8.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 120.216 3.413 . . . . 0.0 120.216 -177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.17 -12.83 61.87 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.929 2.491 . . . . 0.0 114.148 177.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -110.54 -78.23 0.59 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.22 2.608 . . . . 0.0 111.344 -171.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 m -139.74 153.58 70.18 Favored Pre-proline 0 CA--C 1.474 -1.96 0 N-CA-C 100.407 -3.923 . . . . 0.0 100.407 173.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.03 -38.08 0.14 Allowed 'Trans proline' 0 N--CA 1.441 -1.586 0 N-CA-C 118.526 2.472 . . . . 0.0 118.526 -173.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.792 0.1 OUTLIER 179.27 -175.78 0.25 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-N 122.675 2.489 . . . . 0.0 113.11 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.7 m-85 -44.27 -20.82 0.03 OUTLIER 'General case' 0 C--N 1.382 2.019 1 C-N-CA 132.844 4.458 . . . . 0.0 117.506 -178.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.86 -44.32 49.68 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 130.461 3.504 . . . . 0.0 114.156 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 31' ' ' VAL . 11.4 t80 -74.81 -50.39 17.33 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.465 1.906 . . . . 0.0 106.624 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 34' ' ' TYR 0.478 0.3 OUTLIER -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.311 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -65.83 -41.61 91.57 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.678 2.035 . . . . 0.0 115.33 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -69.25 -34.7 75.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.09 1.756 . . . . 0.0 113.521 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.09 -23.95 26.48 Favored 'General case' 0 C--N 1.369 1.452 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.63 -8.68 59.59 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 118.71 -2.494 . . . . 0.0 115.421 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.05 -13.74 2.47 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 127.816 2.626 . . . . 0.0 116.841 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.63 144.82 42.8 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.517 1.527 . . . . 0.0 113.995 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -70.5 54.3 0.15 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.536 3.534 . . . . 0.0 114.69 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.9 p -73.03 -37.44 66.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 131.082 3.753 . . . . 0.0 117.442 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 3.94 2.28 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -66.2 -30.05 70.44 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.303 2.241 . . . . 0.0 114.497 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -148.06 127.82 13.42 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.387 -1.445 . . . . 0.0 107.474 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.2 t30 -61.95 -32.44 72.87 Favored 'General case' 0 C--N 1.382 1.981 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -73.17 -33.88 65.71 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -73.2 -47.03 47.0 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.115 1.366 . . . . 0.0 113.027 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 45' ' ' SER 0.288 14.6 p -65.87 -47.73 84.49 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-O 117.292 -1.337 . . . . 0.0 111.31 172.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.487 0.0 OUTLIER -61.77 -34.21 75.46 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 117.546 -1.216 . . . . 0.0 112.871 175.394 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.57 -45.61 92.12 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 122.523 2.419 . . . . 0.0 114.935 165.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -65.78 -39.86 91.41 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 121.971 2.169 . . . . 0.0 113.575 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.74 -52.02 65.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.39 -1.732 . . . . 0.0 114.021 171.282 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.155 4.6 m -60.99 -31.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 128.328 2.651 . . . . 0.0 116.165 169.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.49 -44.69 95.76 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.231 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' LYS 0.333 . . -63.89 -33.47 75.78 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 168.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.689 ' CG ' HG12 ' A' ' 57' ' ' VAL . 9.5 t80 -52.37 -13.17 0.32 Allowed 'General case' 0 CA--C 1.588 2.44 0 C-N-CA 128.441 2.696 . . . . 0.0 115.8 -173.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.5 6.93 65.71 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 128.97 3.176 . . . . 0.0 116.259 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 12.1 ttpt -91.74 -52.95 4.5 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.005 3.322 . . . . 0.0 115.339 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' H ' HH22 ' A' ' 8' ' ' ARG . . . -101.26 29.38 4.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.591 -1.943 . . . . 0.0 112.06 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.0 tp -88.27 135.55 32.86 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 128.999 2.92 . . . . 0.0 111.91 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -86.19 157.07 9.72 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 123.163 2.576 . . . . 0.0 111.121 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.36 68.27 8.01 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 110.94 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.4 162.41 27.04 Favored Pre-proline 0 N--CA 1.443 -0.809 0 C-N-CA 127.076 2.151 . . . . 0.0 107.665 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.11 172.01 15.46 Favored 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 125.02 3.813 . . . . 0.0 111.804 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 138.46 24.6 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.483 3.455 . . . . 0.0 113.65 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.04 162.06 27.73 Favored Pre-proline 0 C--N 1.353 0.74 0 C-N-CA 126.724 2.009 . . . . 0.0 106.301 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.96 169.13 13.33 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.355 3.37 . . . . 0.0 111.816 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.62 152.91 23.07 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.881 3.054 . . . . 0.0 113.865 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.8 tp -119.63 150.54 40.15 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.413 1.885 . . . . 0.0 110.016 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -93.67 129.56 39.93 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.591 1.956 . . . . 0.0 108.814 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.24 61.56 6.62 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.489 2.316 . . . . 0.0 110.719 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -138.43 51.06 1.86 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.326 1.85 . . . . 0.0 107.685 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -148.94 108.59 4.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 N-CA-C 100.098 -4.038 . . . . 0.0 100.098 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 tp 78.96 -39.49 0.23 Allowed 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.396 2.278 . . . . 0.0 113.183 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.31 0.71 44.58 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 130.515 3.526 . . . . 0.0 114.1 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--N 1.362 1.144 0 C-N-CA 128.692 2.797 . . . . 0.0 112.796 176.783 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.4 tpp . . . . . 0 N--CA 1.444 -0.74 0 CA-C-O 122.423 1.106 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.68 0.72 Allowed Glycine 0 C--N 1.361 1.952 0 C-N-CA 128.011 2.719 . . . . 0.0 116.435 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.89 150.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 126.612 1.965 . . . . 0.0 106.913 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 33.3 t0 -93.34 67.98 4.14 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.465 -2.022 . . . . 0.0 116.008 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.414 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.421 9.1 m-85 -76.78 -63.07 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 157.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 9' ' ' THR 0.497 0.5 OUTLIER -57.36 -40.73 78.68 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 -164.922 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -63.28 -28.24 71.95 Favored Glycine 0 C--N 1.377 2.841 0 CA-C-N 123.875 3.034 . . . . 0.0 112.544 171.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 3' ' ' ASP . 0.7 OUTLIER -75.98 -53.35 8.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.994 -1.886 . . . . 0.0 110.362 177.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 60' ' ' TYR 0.303 2.0 ptt85 -68.63 -32.45 72.33 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 5' ' ' SER 0.481 0.5 OUTLIER -83.32 -26.8 30.24 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 177.664 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -98.16 -35.59 5.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-N 120.375 1.443 . . . . 0.0 109.437 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -108.42 -11.85 15.11 Favored 'General case' 0 C--N 1.383 2.055 0 CA-C-N 122.516 2.416 . . . . 0.0 113.611 -170.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.32 3.8 Favored Glycine 0 C--N 1.357 1.738 0 N-CA-C 118.538 2.175 . . . . 0.0 118.538 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.93 -50.78 8.77 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 118.294 2.701 . . . . 0.0 118.294 -170.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 18.0 ttmt -143.27 -151.23 0.35 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 122.579 1.18 . . . . 0.0 109.701 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 HD23 ' A' ' 7' ' ' LEU 0.253 16.0 mt -113.59 128.19 25.98 Favored Pre-proline 0 N--CA 1.444 -0.762 0 C-N-CA 130.39 3.476 . . . . 0.0 107.633 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.94 175.71 9.37 Favored 'Trans proline' 0 N--CA 1.457 -0.639 1 C-N-CA 125.316 4.011 . . . . 0.0 116.14 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.65 163.27 14.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.556 2.342 . . . . 0.0 111.082 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.423 1.0 OUTLIER -54.93 -30.34 58.43 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 -173.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -59.13 -47.51 85.02 Favored 'General case' 0 C--N 1.376 1.721 0 C-N-CA 127.587 2.355 . . . . 0.0 113.095 176.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' H ' ' CD2' ' A' ' 19' ' ' HIS 0.264 0.1 OUTLIER -78.71 -41.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 121.207 -0.933 . . . . 0.0 113.392 165.786 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.317 0.9 OUTLIER -67.11 -51.35 55.31 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 112.616 -169.73 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -75.66 -11.58 60.03 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.39 -1.444 . . . . 0.0 112.749 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.68 -21.92 10.5 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 119.382 3.104 . . . . 0.0 119.382 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -109.75 129.87 55.57 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.999 -2.313 . . . . 0.0 110.557 -174.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 29' ' ' LYS . 2.8 t -64.34 -10.11 7.64 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 127.885 2.474 . . . . 0.0 115.153 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.97 -41.22 46.24 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 130.942 3.697 . . . . 0.0 110.263 168.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.87 -40.02 4.91 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 124.584 1.154 . . . . 0.0 112.249 166.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -18.06 1.45 Allowed 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 120.208 3.41 . . . . 0.0 120.208 -172.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.67 -17.2 64.72 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 129.027 2.931 . . . . 0.0 114.157 176.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -112.09 -59.11 2.04 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -169.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.686 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 2.9 t -156.51 142.27 12.78 Favored Pre-proline 0 CA--C 1.48 -1.719 1 N-CA-C 98.718 -4.549 . . . . 0.0 98.718 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.12 -38.01 0.22 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 CA-C-O 114.751 -2.27 . . . . 0.0 117.637 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.827 0.3 OUTLIER 179.23 -176.1 0.25 Allowed 'General case' 0 C--N 1.363 1.163 0 CA-C-N 122.877 2.581 . . . . 0.0 111.228 177.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 7.7 m-85 -43.93 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.378 1.832 1 C-N-CA 132.909 4.484 . . . . 0.0 118.664 -175.387 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -49.16 36.41 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 129.997 3.319 . . . . 0.0 113.991 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.683 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.4 t80 -74.82 -48.08 27.14 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.939 1.696 . . . . 0.0 107.17 171.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.521 0.4 OUTLIER -60.59 -29.61 69.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 179.336 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -70.75 -40.97 72.37 Favored 'General case' 0 C--N 1.383 2.022 0 O-C-N 120.224 -1.548 . . . . 0.0 113.89 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.79 -34.24 75.21 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 125.804 1.642 . . . . 0.0 113.076 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -71.06 -44.32 66.0 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.734 2.014 . . . . 0.0 114.066 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -89.66 -9.79 48.26 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 120.593 1.542 . . . . 0.0 114.312 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.71 13.22 74.86 Favored Glycine 0 C--N 1.37 2.423 0 CA-C-O 123.112 1.396 . . . . 0.0 114.156 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.269 16.8 tp -115.36 131.59 56.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 127.532 2.333 . . . . 0.0 108.228 -167.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 p -86.16 27.62 0.9 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 126.144 1.778 . . . . 0.0 115.337 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -10.07 59.4 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.02 -16.4 63.71 Favored 'General case' 0 C--N 1.376 1.736 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -51.77 -31.07 25.41 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.254 1.1 p -133.88 136.55 44.41 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.822 1.192 . . . . 0.0 108.024 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -64.79 -29.83 70.81 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.986 1.314 . . . . 0.0 113.687 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 19.8 mmm180 -73.69 -39.68 64.2 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 173.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -45.92 56.68 Favored 'General case' 0 C--N 1.372 1.562 0 CA-C-N 120.399 1.454 . . . . 0.0 113.876 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' PHE 0.275 11.7 p -66.29 -48.49 80.89 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 O-C-N 120.544 -1.348 . . . . 0.0 111.439 174.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 49' ' ' ASN 0.531 0.0 OUTLIER -57.84 -31.24 66.46 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.564 1.546 . . . . 0.0 114.275 173.085 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -53.87 35.26 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.878 -1.139 . . . . 0.0 113.146 167.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -65.17 -34.97 79.66 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 122.059 2.209 . . . . 0.0 115.127 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -67.67 -48.84 65.49 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 124.622 2.154 . . . . 0.0 113.625 173.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 60' ' ' TYR 1.174 1.0 OUTLIER -67.17 -31.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 O-C-N 118.061 -2.899 . . . . 0.0 115.503 174.599 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.09 -41.26 98.02 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 126.409 1.884 . . . . 0.0 112.065 161.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.346 . . -58.73 -33.42 70.21 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.62 1.568 . . . . 0.0 115.193 166.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -51.4 -14.73 0.32 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.08 6.45 78.87 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 128.254 2.835 . . . . 0.0 117.358 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -90.57 -52.04 5.1 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 130.37 3.468 . . . . 0.0 114.432 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.92 23.7 13.54 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.579 -1.326 . . . . 0.0 112.833 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.52 131.44 68.26 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 128.042 2.537 . . . . 0.0 113.124 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.78 151.48 21.83 Favored 'Trans proline' 0 CA--C 1.558 1.695 0 C-N-CA 123.963 3.109 . . . . 0.0 111.524 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.27 65.43 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 125.067 3.845 . . . . 0.0 111.962 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.33 163.7 23.67 Favored Pre-proline 0 C--N 1.353 0.757 0 C-N-CA 127.011 2.124 . . . . 0.0 107.308 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -83.16 -178.86 4.01 Favored 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 124.776 3.65 . . . . 0.0 111.248 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -61.32 120.11 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 125.147 3.898 . . . . 0.0 115.864 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.22 155.71 77.22 Favored Pre-proline 0 C--N 1.357 0.92 0 C-N-CA 126.504 1.922 . . . . 0.0 109.975 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.27 168.95 19.58 Favored 'Trans proline' 0 C--N 1.365 1.416 1 C-N-CA 125.609 4.206 . . . . 0.0 113.049 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -81.95 155.11 17.47 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.177 3.252 . . . . 0.0 115.164 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.5 tp -136.76 150.75 48.56 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.518 2.727 . . . . 0.0 104.563 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.6 t -141.34 -170.49 3.09 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.7 mt -94.79 161.95 13.96 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 126.745 2.018 . . . . 0.0 113.03 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.5 m -122.17 31.35 6.21 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.956 2.102 . . . . 0.0 107.973 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -100.67 84.26 2.71 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.195 1.798 . . . . 0.0 108.989 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.255 47.6 mt 98.64 -24.37 0.03 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 130.054 3.341 . . . . 0.0 110.616 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -88.07 11.12 16.92 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.733 2.413 . . . . 0.0 114.686 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--N 1.362 1.113 0 O-C-N 120.115 -1.616 . . . . 0.0 111.184 179.691 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.5 -13.05 83.63 Favored Glycine 0 C--N 1.367 2.256 0 C-N-CA 125.135 1.35 . . . . 0.0 114.289 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -122.7 134.29 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.681 ' CG ' HD11 ' A' ' 7' ' ' LEU . 27.0 t0 -80.67 69.26 7.15 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.451 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.523 0.5 OUTLIER -77.34 -65.86 0.9 Allowed 'General case' 0 C--N 1.344 0.35 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 153.946 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.378 1.0 OUTLIER -56.61 -46.86 80.68 Favored 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 -162.105 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . -54.71 -33.96 55.89 Favored Glycine 0 C--N 1.376 2.758 0 CA-C-N 122.223 2.283 . . . . 0.0 116.93 167.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' H ' ' A' ' 7' ' ' LEU 0.318 0.7 OUTLIER -77.1 -41.73 40.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 118.57 -2.724 . . . . 0.0 112.103 177.07 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 5' ' ' SER 0.348 0.0 OUTLIER -69.72 -38.9 77.07 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.446 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.386 1.4 t -82.3 -30.02 30.79 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 6' ' ' GLY . 5.2 mp -98.25 -33.12 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.417 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 20' ' ' ILE 0.294 52.8 m-85 -113.93 -29.94 6.88 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 124.547 3.339 . . . . 0.0 112.506 -171.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.79 -104.07 1.26 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 118.169 2.027 . . . . 0.0 118.169 161.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -78.97 -24.85 43.59 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 119.403 3.112 . . . . 0.0 119.403 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -146.87 169.15 19.73 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.45 140.2 55.87 Favored Pre-proline 0 C--N 1.353 0.734 0 O-C-N 120.788 -1.195 . . . . 0.0 112.294 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' CB ' HD11 ' A' ' 20' ' ' ILE . 10.3 Cg_endo -85.26 -178.76 3.23 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 124.139 3.226 . . . . 0.0 112.098 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 26.1 tt0 -84.11 155.66 22.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.098 2.159 . . . . 0.0 115.986 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -23.2 15.67 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 131.576 3.95 . . . . 0.0 120.469 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 34.5 p-80 -66.86 -43.46 83.5 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.603 1.561 . . . . 0.0 110.398 172.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' PRO . 2.2 pt -78.14 -49.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 164.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.463 0.9 OUTLIER -65.94 -50.08 65.67 Favored 'General case' 0 C--N 1.375 1.704 0 O-C-N 120.592 -1.318 . . . . 0.0 112.771 -169.668 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 53.6 m-85 -75.52 -13.16 60.35 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.618 2.008 . . . . 0.0 112.861 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.23 -21.79 10.28 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.5 m -104.81 124.96 50.34 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 119.786 -1.821 . . . . 0.0 110.407 -172.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.96 -19.24 12.14 Favored 'Isoleucine or valine' 0 C--N 1.374 1.634 0 C-N-CA 128.283 2.633 . . . . 0.0 115.916 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.42 -38.03 27.75 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 129.363 3.065 . . . . 0.0 111.301 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.15 -39.75 5.17 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 123.945 0.898 . . . . 0.0 111.599 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 119.863 3.283 . . . . 0.0 119.863 -174.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -67.71 -14.33 62.86 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 128.538 2.735 . . . . 0.0 114.24 176.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -116.52 -61.11 1.77 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.427 2.291 . . . . 0.0 115.096 -168.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.647 ' HB ' ' HB2' ' A' ' 3' ' ' ASP . 8.4 t -158.83 142.09 10.76 Favored Pre-proline 0 CA--C 1.491 -1.322 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 82.7 Cg_endo -84.88 -37.63 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-N 124.761 2.736 . . . . 0.0 117.775 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.975 0.1 OUTLIER 179.54 -175.55 0.26 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 123.981 3.082 . . . . 0.0 111.746 175.636 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.647 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -43.21 -17.86 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.197 1 C-N-CA 134.545 5.138 . . . . 0.0 117.189 -177.091 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.87 -49.3 53.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.369 2.668 . . . . 0.0 113.6 172.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 31' ' ' VAL . 4.2 t80 -75.18 -49.46 19.39 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 128.038 2.535 . . . . 0.0 107.015 169.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.647 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.8 2.2 pp -61.29 -28.3 69.09 Favored 'General case' 0 C--N 1.37 1.486 0 N-CA-C 118.894 2.924 . . . . 0.0 118.894 178.003 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -66.14 -32.99 74.77 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 123.849 3.022 . . . . 0.0 113.809 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -69.23 -48.37 62.11 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 125.395 1.478 . . . . 0.0 112.025 167.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.17 -8.69 59.46 Favored 'General case' 0 C--N 1.368 1.409 0 O-C-N 119.227 -2.171 . . . . 0.0 114.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.19 -13.81 2.53 Favored Glycine 0 C--N 1.356 1.643 0 C-N-CA 127.291 2.377 . . . . 0.0 117.279 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 157.21 32.12 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.232 1.813 . . . . 0.0 112.25 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 m -66.91 59.46 0.04 OUTLIER 'General case' 0 C--N 1.372 1.566 0 C-N-CA 129.644 3.178 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.484 ' HB2' HG23 ' A' ' 52' ' ' VAL . 1.9 p -72.96 -29.96 63.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 129.991 3.316 . . . . 0.0 117.335 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 5.8 0.97 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.845 2.858 . . . . 0.0 118.062 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -61.46 -44.72 96.6 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 128.756 2.822 . . . . 0.0 115.633 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.7 m -148.51 139.69 23.25 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.894 -1.753 . . . . 0.0 106.415 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -54.04 -46.49 71.92 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 127.49 2.316 . . . . 0.0 112.966 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -64.93 -33.65 76.54 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.581 1.952 . . . . 0.0 115.041 174.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -72.68 -46.67 52.65 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.051 1.74 . . . . 0.0 113.886 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 45' ' ' SER . 3.0 p -66.86 -45.92 86.43 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 O-C-N 120.702 -1.249 . . . . 0.0 111.814 171.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -59.61 -33.97 72.17 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 174.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -67.13 -45.34 77.43 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.138 1.775 . . . . 0.0 113.513 167.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.28 -42.9 99.74 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-O 124.919 2.295 . . . . 0.0 112.062 173.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -62.64 -43.95 97.51 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 112.793 -2.003 . . . . 0.0 114.054 171.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 53' ' ' TRP 1.111 32.7 m -65.38 -31.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 129.273 3.029 . . . . 0.0 116.334 169.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.57 -38.34 90.66 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.009 1.724 . . . . 0.0 111.218 163.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.334 . . -62.37 -44.06 97.34 Favored 'General case' 0 C--N 1.383 2.041 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CG ' HG12 ' A' ' 57' ' ' VAL . 29.5 t80 -51.27 -14.2 0.25 Allowed 'General case' 0 CA--C 1.559 1.295 1 C-N-CA 133.197 4.599 . . . . 0.0 115.236 -166.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.12 3.97 82.72 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 119.552 -1.967 . . . . 0.0 116.833 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.31 0.0 OUTLIER -97.39 -52.44 3.8 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.541 2.671 . . . . 0.0 115.965 -178.041 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -89.76 29.97 1.1 Allowed 'General case' 0 N--CA 1.483 1.18 0 O-C-N 118.594 -2.566 . . . . 0.0 113.726 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . 0.27 10.6 tt -95.48 97.9 3.19 Favored Pre-proline 0 CA--C 1.558 1.259 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -89.67 162.53 5.24 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 124.036 3.157 . . . . 0.0 111.677 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -84.35 55.54 4.58 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.308 3.338 . . . . 0.0 112.824 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.06 159.04 2.83 Favored Pre-proline 0 C--N 1.356 0.877 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.17 112.92 1.18 Allowed 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 123.882 3.055 . . . . 0.0 113.174 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -87.06 42.81 0.88 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 124.374 3.382 . . . . 0.0 113.016 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.46 164.56 2.56 Favored Pre-proline 0 C--N 1.356 0.86 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -94.82 93.8 0.11 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.258 3.305 . . . . 0.0 112.114 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.89 160.93 42.47 Favored 'Trans proline' 0 C--N 1.363 1.294 1 C-N-CA 125.637 4.225 . . . . 0.0 115.452 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.22 137.63 32.15 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.561 1.544 . . . . 0.0 111.262 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.1 t -128.77 59.49 1.55 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 125.012 1.325 . . . . 0.0 112.542 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.381 23.4 tp 111.08 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.358 0.953 0 C-N-CA 128.447 2.699 . . . . 0.0 111.3 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t 60.89 -124.95 0.94 Allowed 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.639 -1.913 . . . . 0.0 115.489 168.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -129.82 24.28 5.35 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.839 2.056 . . . . 0.0 106.898 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -172.73 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 106.101 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -158.73 -48.46 0.06 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.755 0.788 . . . . 0.0 110.202 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.35 0.626 0 O-C-N 120.028 -1.67 . . . . 0.0 110.096 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -77.6 -14.83 82.03 Favored Glycine 0 C--N 1.371 2.508 0 C-N-CA 125.062 1.315 . . . . 0.0 115.48 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.47 ' HB ' ' CE1' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.21 148.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 175.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 7' ' ' LEU . 6.3 p-10 -83.65 64.24 7.86 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -172.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.498 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.709 0.3 OUTLIER -78.74 -69.48 0.56 Allowed 'General case' 0 CA--C 1.513 -0.468 1 N-CA-C 122.193 4.145 . . . . 0.0 122.193 161.73 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG3' ' A' ' 8' ' ' ARG 0.309 0.4 OUTLIER -56.95 -47.48 80.6 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 120.785 3.624 . . . . 0.0 120.785 -158.599 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.599 ' H ' ' HE2' ' A' ' 30' ' ' TYR . . . -63.12 -28.53 72.3 Favored Glycine 0 C--N 1.371 2.511 0 C-N-CA 129.343 3.354 . . . . 0.0 112.383 166.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.9 mp -75.39 -39.08 59.51 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 117.152 -3.558 . . . . 0.0 111.063 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.518 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.323 0.0 OUTLIER -69.29 -42.67 75.17 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.755 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.47 1.0 OUTLIER -82.31 -18.48 42.1 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -101.66 -36.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 125.72 1.608 . . . . 0.0 111.619 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 30.8 m-85 -109.46 -27.99 9.16 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-N 123.721 2.964 . . . . 0.0 113.427 -173.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.02 -96.78 1.5 Allowed Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.619 1.104 . . . . 0.0 115.345 172.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -76.4 -35.51 58.55 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 -171.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -146.52 166.39 26.58 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mp -78.85 149.3 73.78 Favored Pre-proline 0 C--N 1.359 0.984 0 C-N-CA 125.609 1.564 . . . . 0.0 112.247 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 21' ' ' PHE . 73.6 Cg_endo -76.51 177.26 9.04 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.131 3.221 . . . . 0.0 115.284 177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 18.2 mt-10 -85.64 158.79 20.0 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 128.267 2.627 . . . . 0.0 110.095 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 p -57.39 -23.3 48.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -60.33 -47.14 87.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 126.56 1.944 . . . . 0.0 112.842 174.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -78.6 -41.58 25.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 O-C-N 121.097 -1.002 . . . . 0.0 112.958 164.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' CD1' ' HB1' ' A' ' 27' ' ' ALA 0.442 1.2 t80 -71.33 -46.14 61.31 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -168.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 17.7 m-85 -75.68 -11.31 59.98 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 120.346 1.43 . . . . 0.0 112.402 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.0 10.51 Favored 'General case' 0 C--N 1.383 2.062 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 m -112.04 130.04 56.01 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.376 -2.078 . . . . 0.0 112.642 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 29' ' ' LYS . 1.6 t -63.62 -3.24 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 1 C-N-CA 134.056 4.942 . . . . 0.0 113.268 177.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.03 78.7 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.133 2.173 . . . . 0.0 108.743 167.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -110.19 -34.21 6.44 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.266 3.027 . . . . 0.0 117.754 -177.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HB3' HG12 ' A' ' 25' ' ' VAL 0.257 0.0 OUTLIER -70.62 -2.88 15.73 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 128.846 2.858 . . . . 0.0 116.387 -170.051 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' HE2' ' H ' ' A' ' 6' ' ' GLY . 22.4 m-85 -111.99 -49.71 2.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 121.549 0.69 . . . . 0.0 110.656 171.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -155.5 154.74 28.78 Favored Pre-proline 0 CA--C 1.483 -1.617 0 N-CA-C 100.303 -3.962 . . . . 0.0 100.303 176.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.5 -38.9 0.21 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 N-CA-C 117.322 2.008 . . . . 0.0 117.322 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.737 0.3 OUTLIER 178.81 -175.42 0.2 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.968 2.507 . . . . 0.0 111.625 -178.857 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.608 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.6 m-85 -43.96 -20.28 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.122 1 C-N-CA 132.572 4.349 . . . . 0.0 118.455 -179.741 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.41 51.98 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 127.62 2.368 . . . . 0.0 113.95 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 8.5 t80 -75.54 -50.42 15.69 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 125.351 1.46 . . . . 0.0 107.12 168.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.555 0.6 OUTLIER -60.5 -36.62 78.77 Favored 'General case' 0 C--N 1.376 1.76 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -178.97 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -65.36 -34.1 77.52 Favored 'General case' 0 C--N 1.368 1.407 0 CA-C-N 124.93 3.513 . . . . 0.0 115.514 174.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -69.49 -43.5 73.05 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.523 1.929 . . . . 0.0 114.34 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -86.38 -20.7 27.86 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -82.71 -6.56 59.45 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 119.737 -1.852 . . . . 0.0 113.972 -178.076 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.71 -13.27 3.14 Favored Glycine 0 C--N 1.358 1.791 0 C-N-CA 127.309 2.385 . . . . 0.0 116.717 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.294 0.9 OUTLIER -129.72 151.09 50.69 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m -87.31 59.49 5.57 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.637 1.975 . . . . 0.0 112.042 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.57 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . 1.7 p -72.96 -10.04 59.38 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 129.87 3.268 . . . . 0.0 110.819 171.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.27 5.64 1.22 Allowed 'General case' 0 C--N 1.357 0.915 1 C-N-CA 132.142 4.177 . . . . 0.0 118.309 -169.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -72.52 -35.72 68.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.546 1.938 . . . . 0.0 113.369 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -139.35 145.15 38.67 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 124.784 1.234 . . . . 0.0 109.577 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -66.9 -23.2 65.97 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 125.785 1.634 . . . . 0.0 112.028 175.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 1.1 mpt_? -73.3 -45.84 53.18 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.536 2.734 . . . . 0.0 113.396 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -72.12 -46.64 55.82 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.943 2.097 . . . . 0.0 113.856 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 45' ' ' SER 0.283 14.6 p -66.38 -43.77 91.11 Favored 'Isoleucine or valine' 0 C--N 1.383 2.042 0 O-C-N 120.747 -1.221 . . . . 0.0 111.874 177.133 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 57' ' ' VAL 0.363 0.0 OUTLIER -63.27 -33.65 75.96 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 173.927 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.77 -43.82 83.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.028 1.731 . . . . 0.0 114.358 168.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -65.51 -39.4 91.82 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 124.592 2.139 . . . . 0.0 111.685 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -58.44 -50.48 73.55 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 112.681 -2.054 . . . . 0.0 113.621 169.005 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 53' ' ' TRP 1.179 33.7 m -61.49 -31.75 51.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 C-N-CA 128.851 2.86 . . . . 0.0 116.741 171.208 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.42 -42.33 98.72 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.737 2.015 . . . . 0.0 111.819 163.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.332 . . -61.25 -40.22 93.26 Favored 'General case' 0 C--N 1.384 2.071 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CG ' HG12 ' A' ' 57' ' ' VAL . 17.5 t80 -52.59 -14.74 0.55 Allowed 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 130.762 3.625 . . . . 0.0 115.868 -171.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.05 6.04 63.79 Favored Glycine 0 C--N 1.351 1.368 0 C-N-CA 126.71 2.1 . . . . 0.0 115.813 168.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -99.16 -30.6 12.2 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 127.219 2.208 . . . . 0.0 116.52 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.518 ' HB3' HH22 ' A' ' 8' ' ' ARG . . . -113.15 21.62 15.14 Favored 'General case' 0 C--N 1.365 1.26 0 O-C-N 119.615 -1.928 . . . . 0.0 111.442 178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 tt -95.09 126.15 47.71 Favored Pre-proline 0 C--N 1.355 0.84 0 C-N-CA 124.88 1.272 . . . . 0.0 111.023 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.5 125.51 5.68 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.375 2.717 . . . . 0.0 110.081 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.76 60.06 7.53 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.608 3.539 . . . . 0.0 112.336 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.85 168.74 7.55 Favored Pre-proline 0 C--N 1.355 0.842 0 C-N-CA 126.764 2.026 . . . . 0.0 105.74 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -80.03 5.76 5.76 Favored 'Trans proline' 0 CA--C 1.561 1.871 0 CA-C-O 111.661 -3.558 . . . . 0.0 119.263 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -86.93 52.13 2.53 Favored 'Trans proline' 0 C--N 1.372 1.785 1 CA-C-N 133.145 5.73 . . . . 0.0 112.908 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.16 42.68 0.74 Allowed Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.1 -1.905 . . . . 0.0 114.874 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -86.3 172.52 7.11 Favored 'Trans proline' 0 CA--C 1.553 1.43 0 CA-C-N 126.358 3.307 . . . . 0.0 111.891 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.34 150.07 17.19 Favored 'Trans proline' 0 CA--C 1.552 1.424 0 C-N-CA 124.239 3.293 . . . . 0.0 112.349 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.7 121.78 45.76 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.44 1.496 . . . . 0.0 107.525 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.0 m -162.81 -52.91 0.04 OUTLIER 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.774 -1.829 . . . . 0.0 107.963 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.26 75.27 6.13 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 122.714 1.245 . . . . 0.0 111.577 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -76.96 55.18 1.08 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 128.359 2.664 . . . . 0.0 113.452 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.91 -53.48 0.1 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.738 2.815 . . . . 0.0 104.506 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.09 -44.5 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.432 2.693 . . . . 0.0 112.673 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -97.11 -40.34 8.87 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 128.012 2.525 . . . . 0.0 114.559 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 C--N 1.361 1.098 0 O-C-N 120.973 -1.079 . . . . 0.0 113.458 -175.052 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.76 -58.01 0.14 Allowed Glycine 0 C--N 1.365 2.193 0 C-N-CA 129.262 3.315 . . . . 0.0 118.241 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 6.9 mt -118.33 137.52 52.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 127.55 2.34 . . . . 0.0 105.373 177.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.555 ' O ' HD13 ' A' ' 7' ' ' LEU . 36.3 t0 -81.7 68.14 7.95 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -172.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' ' 2' ' ' ILE 0.456 1.3 m-85 -76.63 -66.42 0.81 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 130.588 3.555 . . . . 0.0 119.446 156.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.4 1.6 t -56.85 -41.52 78.05 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.985 3.328 . . . . 0.0 119.985 -161.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.57 -18.98 74.29 Favored Glycine 0 C--N 1.373 2.605 0 O-C-N 118.047 -2.908 . . . . 0.0 112.529 169.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 7' ' ' LEU 0.345 2.1 mp -77.99 -49.53 13.89 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 116.402 -3.999 . . . . 0.0 113.093 176.084 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -69.52 -36.86 76.82 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 170.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.557 0.4 OUTLIER -83.98 -25.37 30.06 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.78 -33.04 3.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 CA-C-N 120.192 1.36 . . . . 0.0 111.022 173.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.19 -30.6 5.58 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 122.944 2.611 . . . . 0.0 113.864 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.73 -122.42 5.57 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.53 -25.82 68.15 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 -169.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -143.93 162.13 36.94 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 103.25 -2.87 . . . . 0.0 103.25 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 56' ' ' PHE . 4.1 mt -76.26 146.4 78.02 Favored Pre-proline 0 C--N 1.359 1.015 0 C-N-CA 125.805 1.642 . . . . 0.0 111.242 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.77 -178.2 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 1 C-N-CA 126.668 4.912 . . . . 0.0 118.077 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -86.32 154.25 21.37 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 129.12 2.968 . . . . 0.0 111.46 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.255 0.7 OUTLIER -62.04 -23.9 66.74 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 120.2 3.407 . . . . 0.0 120.2 -174.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -46.41 88.37 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 125.882 1.673 . . . . 0.0 111.2 172.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.286 0.1 OUTLIER -77.89 -45.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 167.474 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . 0.321 1.0 OUTLIER -68.57 -50.0 55.14 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 121.672 2.033 . . . . 0.0 111.28 -170.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 0.2 OUTLIER -73.65 -17.75 61.11 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 120.874 -1.141 . . . . 0.0 113.584 177.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.47 -22.11 9.99 Favored 'General case' 0 C--N 1.382 2.011 0 N-CA-C 120.319 3.451 . . . . 0.0 120.319 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.7 m -103.77 127.94 51.2 Favored 'General case' 0 C--N 1.366 1.325 0 CA-C-N 122.104 2.229 . . . . 0.0 112.473 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 t -56.08 -20.93 10.39 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 C-N-CA 130.497 3.519 . . . . 0.0 115.712 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.34 50.89 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.901 2.48 . . . . 0.0 111.574 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.51 -40.5 4.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.8 -0.562 . . . . 0.0 111.457 166.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' CD2' ' HB3' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -53.57 -18.49 2.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 119.822 3.267 . . . . 0.0 119.822 -176.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -68.99 -17.07 63.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.445 2.698 . . . . 0.0 114.478 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.42 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 3.2 m-30 -111.45 -59.46 1.98 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.474 2.71 . . . . 0.0 113.766 -170.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 m -158.87 156.99 27.91 Favored Pre-proline 0 CA--C 1.485 -1.53 0 N-CA-C 100.762 -3.792 . . . . 0.0 100.762 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 60.1 Cg_endo -88.1 -39.03 0.06 OUTLIER 'Trans proline' 0 CA--C 1.552 1.392 0 N-CA-C 121.685 3.687 . . . . 0.0 121.685 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.906 0.1 OUTLIER 178.67 -174.82 0.18 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 124.439 3.291 . . . . 0.0 113.24 -177.145 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.534 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 13.5 m-85 -43.39 -26.29 0.19 Allowed 'General case' 0 N--CA 1.503 2.176 1 C-N-CA 132.155 4.182 . . . . 0.0 118.193 -176.176 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 38' ' ' ARG . . . -67.32 -44.66 78.59 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.622 2.769 . . . . 0.0 114.329 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -72.77 -41.3 65.21 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 128.007 2.523 . . . . 0.0 107.027 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' ' 34' ' ' TYR . 7.3 mt -59.84 -42.23 93.14 Favored 'General case' 0 C--N 1.373 1.597 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 35' ' ' ALA . 88.8 mtm180 -64.01 -42.64 97.09 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 176.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -68.84 -34.84 76.15 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.747 2.419 . . . . 0.0 113.488 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -73.15 -46.16 52.53 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.534 1.934 . . . . 0.0 114.252 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.6 mt -100.82 -8.87 22.22 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 117.406 -1.718 . . . . 0.0 113.878 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.11 31.85 59.15 Favored Glycine 0 C--N 1.366 2.213 0 C-N-CA 125.642 1.591 . . . . 0.0 112.324 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 45' ' ' SER . 12.2 tp -100.61 145.29 28.57 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -162.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 p -111.45 10.33 21.4 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.821 2.448 . . . . 0.0 112.521 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -73.36 -9.56 58.82 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 130.321 3.448 . . . . 0.0 114.185 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 4.78 1.48 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.466 4.306 . . . . 0.0 116.6 -174.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -76.93 -23.08 52.47 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.543 2.737 . . . . 0.0 112.907 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.7 m -148.46 142.55 25.97 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.427 -2.046 . . . . 0.0 108.677 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.38 -51.03 71.07 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.203 1.801 . . . . 0.0 113.175 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.302 9.2 mpt_? -61.93 -33.19 73.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.933 2.093 . . . . 0.0 115.778 174.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.75 -47.22 48.71 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.127 1.771 . . . . 0.0 114.084 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.263 2.2 p -70.08 -39.24 76.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 120.315 -1.49 . . . . 0.0 111.154 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.628 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -65.05 -34.5 78.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 170.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -67.48 -44.37 78.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.944 2.097 . . . . 0.0 113.98 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -67.36 -37.63 83.53 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.888 1.804 . . . . 0.0 111.435 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.511 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 m-85 -63.4 -42.49 98.79 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 113.972 -1.467 . . . . 0.0 114.175 169.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.133 31.4 m -65.95 -31.81 55.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 129.706 3.202 . . . . 0.0 115.523 172.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.51 -40.1 96.16 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.657 1.983 . . . . 0.0 111.353 162.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.334 . . -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 170.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CG ' HG12 ' A' ' 57' ' ' VAL . 12.1 t80 -51.57 -15.08 0.39 Allowed 'General case' 0 CA--C 1.555 1.152 1 C-N-CA 133.283 4.633 . . . . 0.0 114.767 -167.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 2.33 87.16 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.469 1.985 . . . . 0.0 117.244 165.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.325 0.1 OUTLIER -95.33 -52.28 4.23 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 121.373 2.586 . . . . 0.0 116.207 -178.318 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.572 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -93.03 29.39 1.86 Allowed 'General case' 0 C--N 1.368 1.391 0 O-C-N 119.234 -2.167 . . . . 0.0 113.318 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 tp -73.51 105.69 1.84 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 130.376 3.471 . . . . 0.0 112.148 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -93.4 167.84 2.28 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 122.877 2.385 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.324 3.349 . . . . 0.0 111.862 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.78 84.13 2.49 Favored Pre-proline 0 C--N 1.353 0.745 0 CA-C-N 119.336 0.971 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -87.62 130.82 2.79 Favored 'Trans proline' 0 CA--C 1.556 1.617 0 C-N-CA 124.004 3.136 . . . . 0.0 110.689 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.04 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.742 3.628 . . . . 0.0 113.173 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . . . -160.45 -57.81 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.322 -1.799 . . . . 0.0 108.988 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD3' ' HB3' ' A' ' 70' ' ' ALA . 8.6 Cg_exo -73.42 134.1 20.16 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 124.275 3.317 . . . . 0.0 109.011 169.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.35 146.72 40.51 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.337 3.358 . . . . 0.0 117.73 -168.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.45 112.48 18.59 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.173 1.389 . . . . 0.0 112.956 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.438 1.8 t 71.03 26.17 3.58 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.438 3.095 . . . . 0.0 117.457 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.36 45.24 0.0 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 131.619 3.968 . . . . 0.0 119.39 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -155.45 -24.12 0.11 Allowed 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.886 -1.759 . . . . 0.0 112.586 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -107.11 105.55 15.61 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.131 2.172 . . . . 0.0 109.405 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 ' H ' ' CE1' ' A' ' 80' ' ' HIS . 1.2 tm? 97.3 -46.13 0.01 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 129.002 2.921 . . . . 0.0 105.528 -172.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.72 53.86 2.68 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.216 3.406 . . . . 0.0 110.79 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.623 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.5 m-70 . . . . . 0 C--N 1.356 0.866 0 C-N-CA 127.325 2.25 . . . . 0.0 113.844 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.442 -0.874 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -96.32 2.18 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 128.898 3.142 . . . . 0.0 114.807 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.75 150.88 25.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 129.806 3.242 . . . . 0.0 103.676 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 7' ' ' LEU . 31.0 t0 -82.96 66.36 8.54 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 119.944 -1.723 . . . . 0.0 115.498 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.658 1.6 m-85 -78.14 -65.9 0.92 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 155.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -56.12 -47.02 78.92 Favored 'General case' 0 C--N 1.381 1.978 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -163.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.03 -32.92 56.91 Favored Glycine 0 C--N 1.37 2.449 0 C-N-CA 127.198 2.333 . . . . 0.0 116.445 164.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.5 mp -76.09 -44.87 36.77 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.19 -2.359 . . . . 0.0 110.555 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.519 HH22 ' HB3' ' A' ' 63' ' ' ALA 0.357 0.0 OUTLIER -69.43 -38.47 77.86 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 171.945 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.307 0.6 OUTLIER -82.22 -28.78 31.75 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 178.365 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -93.58 -36.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 119.528 1.058 . . . . 0.0 111.741 171.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 10.0 m-85 -110.07 -30.9 7.56 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 123.868 3.031 . . . . 0.0 112.956 -171.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.47 -108.52 3.69 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 124.318 0.961 . . . . 0.0 115.483 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -37.35 78.91 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 120.081 3.363 . . . . 0.0 120.081 -169.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -142.78 154.31 44.1 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 7' ' ' LEU 0.305 0.0 OUTLIER -92.84 150.2 39.08 Favored Pre-proline 0 N--CA 1.439 -0.988 0 C-N-CA 125.917 1.687 . . . . 0.0 109.988 177.685 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 89.2 Cg_endo -78.53 -178.37 4.59 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 125.068 3.846 . . . . 0.0 120.162 -167.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 47.1 mm-40 -88.28 152.6 21.84 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.441 3.896 . . . . 0.0 109.172 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -51.63 -23.02 3.81 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 121.125 3.75 . . . . 0.0 121.125 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 52.9 p-80 -66.31 -47.87 72.16 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.354 1.862 . . . . 0.0 112.349 176.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 16' ' ' PRO 0.3 6.8 pt -78.98 -35.05 17.27 Favored 'Isoleucine or valine' 0 C--N 1.374 1.63 0 O-C-N 120.53 -1.356 . . . . 0.0 113.29 163.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.384 0.8 OUTLIER -70.98 -51.87 23.05 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.025 -171.672 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 33' ' ' SER . 21.2 m-85 -75.17 -16.63 60.49 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 123.512 2.869 . . . . 0.0 112.695 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.46 -20.66 11.69 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 119.387 3.106 . . . . 0.0 119.387 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -96.22 134.0 39.87 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 121.735 2.061 . . . . 0.0 110.413 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 t -58.32 -30.04 39.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 C-N-CA 127.492 2.317 . . . . 0.0 115.429 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.19 -33.3 12.07 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.999 3.72 . . . . 0.0 112.595 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 21' ' ' PHE . . . -108.72 -39.35 5.39 Favored 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 127.126 2.171 . . . . 0.0 112.313 172.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -53.26 -35.53 60.13 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 118.527 2.788 . . . . 0.0 118.527 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.77 66.02 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.702 2.401 . . . . 0.0 115.876 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -96.13 -74.03 0.57 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 130.581 3.552 . . . . 0.0 114.91 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' HB ' ' CD2' ' A' ' 36' ' ' PHE . 1.5 m -151.78 148.03 21.08 Favored Pre-proline 0 CA--C 1.481 -1.699 1 N-CA-C 100.119 -4.03 . . . . 0.0 100.119 177.029 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.8 -37.34 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.273 0 N-CA-C 118.087 2.303 . . . . 0.0 118.087 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE 0.826 0.3 OUTLIER -179.28 -175.13 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 CA-C-N 122.36 2.346 . . . . 0.0 113.752 -179.879 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.546 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 39.4 m-85 -43.71 -23.31 0.07 Allowed 'General case' 0 C--N 1.379 1.891 1 C-N-CA 133.075 4.55 . . . . 0.0 116.913 -176.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.43 65.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 129.485 3.114 . . . . 0.0 114.813 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD2' ' HB ' ' A' ' 31' ' ' VAL . 18.5 t80 -74.7 -50.71 16.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.632 1.573 . . . . 0.0 107.065 172.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.422 0.4 OUTLIER -62.4 -31.25 71.9 Favored 'General case' 0 C--N 1.367 1.369 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 -179.311 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.58 -40.69 66.41 Favored 'General case' 0 C--N 1.375 1.712 0 O-C-N 119.895 -1.753 . . . . 0.0 113.231 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.427 1.891 . . . . 0.0 113.362 172.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -74.27 -42.91 58.85 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.504 1.922 . . . . 0.0 113.69 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.1 mt -93.28 -9.06 40.35 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 118.228 -1.389 . . . . 0.0 113.817 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.37 63.94 Favored Glycine 0 C--N 1.37 2.432 0 C-N-CA 125.142 1.353 . . . . 0.0 113.175 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.36 152.01 22.08 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 p -110.49 19.69 18.49 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -9.83 59.14 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 129.677 3.191 . . . . 0.0 113.936 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 5.35 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 130.461 3.504 . . . . 0.0 116.964 -174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -76.83 -42.45 40.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 129.065 2.946 . . . . 0.0 112.658 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 p -136.03 145.47 46.08 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 124.172 0.989 . . . . 0.0 108.665 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 15.7 t30 -69.88 -20.61 63.38 Favored 'General case' 0 C--N 1.38 1.905 0 O-C-N 119.909 -1.744 . . . . 0.0 113.579 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.692 ' HD2' ' H ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -72.58 -43.7 63.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 129.227 3.011 . . . . 0.0 111.726 175.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.46 -45.86 57.57 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.793 2.037 . . . . 0.0 114.547 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.383 9.9 p -65.74 -46.7 88.29 Favored 'Isoleucine or valine' 0 C--N 1.395 2.568 0 O-C-N 119.756 -1.84 . . . . 0.0 110.879 173.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 53' ' ' TRP 0.41 0.0 OUTLIER -61.21 -35.31 76.86 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 119.83 1.195 . . . . 0.0 113.575 175.313 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -63.23 -46.02 88.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.758 1.617 . . . . 0.0 115.145 167.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -66.5 -36.5 82.89 Favored 'General case' 0 C--N 1.375 1.714 0 CA-C-N 122.519 2.418 . . . . 0.0 113.474 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -63.66 -52.16 61.96 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 113.547 -1.66 . . . . 0.0 114.765 173.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 60' ' ' TYR 1.059 4.5 m -63.39 -31.94 54.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 C-N-CA 127.219 2.208 . . . . 0.0 115.886 169.377 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.331 1.852 . . . . 0.0 111.797 164.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.348 . . -61.52 -45.9 92.26 Favored 'General case' 0 C--N 1.386 2.171 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 168.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.665 ' CG ' HG12 ' A' ' 57' ' ' VAL . 6.1 t80 -50.13 -14.42 0.15 Allowed 'General case' 0 CA--C 1.575 1.94 0 C-N-CA 129.518 3.127 . . . . 0.0 115.318 -166.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.67 6.04 83.27 Favored Glycine 0 C--N 1.359 1.815 0 O-C-N 119.267 -2.146 . . . . 0.0 118.014 164.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HZ3' ' H ' ' A' ' 63' ' ' ALA 0.356 0.0 OUTLIER -94.54 -36.67 11.73 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 121.342 2.571 . . . . 0.0 116.61 -179.731 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.611 ' H ' ' HZ3' ' A' ' 62' ' ' LYS . . . -115.06 29.0 8.33 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.544 -1.348 . . . . 0.0 113.991 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 tt -106.36 95.74 12.2 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.344 1.858 . . . . 0.0 110.187 175.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -86.78 163.25 9.12 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.552 2.834 . . . . 0.0 111.797 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.92 56.92 6.2 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.684 3.59 . . . . 0.0 111.425 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.03 -42.46 0.03 OUTLIER Pre-proline 0 C--N 1.353 0.73 0 CA-C-O 115.558 -2.163 . . . . 0.0 116.529 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.79 156.17 20.8 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 CA-C-N 126.899 3.5 . . . . 0.0 113.48 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.12 2.37 4.61 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 124.766 3.644 . . . . 0.0 114.611 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.412 . . 108.29 -69.82 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.106 0 C-N-CA 129.003 2.921 . . . . 0.0 114.594 -178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.07 158.81 30.5 Favored 'Trans proline' 0 CA--C 1.552 1.381 0 CA-C-N 126.81 3.468 . . . . 0.0 113.018 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -82.89 161.31 16.05 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 124.909 3.739 . . . . 0.0 113.413 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.61 147.24 27.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.903 2.081 . . . . 0.0 108.822 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 p -64.33 -20.94 66.43 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 129.516 3.127 . . . . 0.0 116.05 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.24 -12.88 20.0 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.852 2.461 . . . . 0.0 110.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.258 10.4 m 51.83 -105.12 0.2 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 121.411 3.856 . . . . 0.0 121.411 173.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -137.59 -6.5 1.73 Allowed 'General case' 0 C--N 1.361 1.097 0 C-N-CA 124.382 1.073 . . . . 0.0 111.618 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.23 -43.86 8.61 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 125.639 1.576 . . . . 0.0 108.69 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -94.73 -48.91 5.85 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.507 1.923 . . . . 0.0 106.954 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.9 t60 . . . . . 0 C--N 1.358 0.977 0 C-N-CA 129.889 3.276 . . . . 0.0 116.744 172.821 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.434 -1.258 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -69.15 -21.47 75.64 Favored Glycine 0 C--N 1.366 2.24 0 C-N-CA 126.278 1.894 . . . . 0.0 116.221 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' CE2' ' A' ' 4' ' ' TYR . 4.2 mt -121.11 135.92 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.768 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 171.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 7' ' ' LEU . 36.3 t0 -81.87 67.83 8.01 Favored 'General case' 0 CA--C 1.485 -1.526 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.349 2.8 m-85 -76.51 -58.28 3.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 156.128 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 9' ' ' THR 0.367 0.3 OUTLIER -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.379 1.86 0 N-CA-C 120.619 3.563 . . . . 0.0 120.619 -162.029 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.68 -27.21 54.86 Favored Glycine 0 C--N 1.393 3.734 0 CA-C-N 123.378 2.808 . . . . 0.0 114.562 165.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 3' ' ' ASP . 1.8 mp -75.87 -51.4 12.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.533 -2.745 . . . . 0.0 111.283 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.269 0.2 OUTLIER -69.73 -32.84 71.62 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.776 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 5' ' ' SER 0.42 1.0 OUTLIER -83.54 -31.93 26.13 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 178.9 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -33.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 C-N-CA 125.202 1.401 . . . . 0.0 111.723 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 7' ' ' LEU . 2.8 m-85 -116.99 -30.73 5.61 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 123.716 2.962 . . . . 0.0 114.127 -171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.09 -127.9 7.62 Favored Glycine 0 C--N 1.358 1.783 0 N-CA-C 117.63 1.812 . . . . 0.0 117.63 166.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.24 -54.58 44.07 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 119.684 3.216 . . . . 0.0 119.684 -169.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.93 175.2 5.58 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 7' ' ' LEU . 14.6 mt -85.46 143.75 39.3 Favored Pre-proline 0 C--N 1.351 0.673 0 O-C-N 120.087 -1.633 . . . . 0.0 112.357 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.35 165.3 33.06 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 125.028 3.819 . . . . 0.0 112.743 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -88.51 165.83 14.6 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.231 1.412 . . . . 0.0 112.876 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.297 5.1 p -54.26 -23.27 14.23 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 121.0 3.704 . . . . 0.0 121.0 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -60.95 -47.41 86.56 Favored 'General case' 0 C--N 1.376 1.717 0 C-N-CA 126.223 1.809 . . . . 0.0 111.869 173.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' H ' ' CD2' ' A' ' 19' ' ' HIS 0.285 0.1 OUTLIER -79.26 -44.73 24.11 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 162.974 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 7' ' ' LEU 0.373 0.8 OUTLIER -64.92 -53.77 41.23 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 119.382 0.992 . . . . 0.0 112.757 -167.399 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 9.4 m-85 -71.78 -21.57 61.7 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.961 1.704 . . . . 0.0 112.653 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.48 -21.16 11.48 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 119.616 3.191 . . . . 0.0 119.616 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -103.92 126.08 50.79 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 119.693 -1.879 . . . . 0.0 110.665 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 29' ' ' LYS . 5.4 t -54.09 -23.71 9.97 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 130.17 3.388 . . . . 0.0 115.035 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.49 -37.52 26.68 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 129.986 3.315 . . . . 0.0 111.237 169.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.95 -40.27 4.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.169 -0.957 . . . . 0.0 112.108 164.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 32' ' ' PRO 0.324 11.3 t-160 -56.37 -18.07 9.85 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 118.502 -2.624 . . . . 0.0 118.008 -175.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB3' HG12 ' A' ' 25' ' ' VAL . 3.4 ptmt -61.27 -20.52 62.97 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.332 2.253 . . . . 0.0 115.091 173.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -108.72 -62.92 1.4 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 129.147 2.979 . . . . 0.0 113.706 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CG ' ' A' ' 36' ' ' PHE . 43.4 t -158.8 138.86 8.81 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 129.171 2.988 . . . . 0.0 103.435 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 74.5 Cg_endo -83.77 -38.51 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 CA-C-N 127.818 3.828 . . . . 0.0 119.222 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.831 0.5 OUTLIER -178.98 -176.03 0.42 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 124.682 3.401 . . . . 0.0 112.8 -175.695 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 4.0 m-85 -43.64 -23.99 0.1 Allowed 'General case' 0 C--N 1.38 1.91 1 C-N-CA 132.585 4.354 . . . . 0.0 117.622 -172.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.47 72.56 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 129.276 3.031 . . . . 0.0 114.589 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CG ' HG13 ' A' ' 31' ' ' VAL . 6.8 t80 -75.0 -40.49 60.64 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 125.694 1.598 . . . . 0.0 106.778 169.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.3 mt -60.4 -44.76 95.37 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 118.514 2.783 . . . . 0.0 118.514 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -72.78 -40.88 65.57 Favored 'General case' 0 C--N 1.378 1.84 0 O-C-N 120.249 -1.532 . . . . 0.0 113.915 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -68.87 -34.41 75.4 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 128.361 2.664 . . . . 0.0 113.878 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -84.68 -38.3 19.94 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 120.921 -1.112 . . . . 0.0 113.895 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.66 -8.7 34.03 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-N 121.866 2.121 . . . . 0.0 113.937 -177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.21 63.7 Favored Glycine 0 C--N 1.372 2.532 0 C-N-CA 125.369 1.461 . . . . 0.0 113.509 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -92.99 146.75 23.38 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -169.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 p -99.66 13.83 32.2 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 129.843 3.257 . . . . 0.0 110.727 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' HB3' ' HA ' ' A' ' 52' ' ' VAL 0.319 1.4 m -70.0 -6.63 34.75 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 131.233 3.813 . . . . 0.0 114.47 176.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.55 4.18 1.13 Allowed 'General case' 0 C--N 1.358 0.965 1 C-N-CA 133.352 4.661 . . . . 0.0 117.399 -172.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.55 -51.23 8.47 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 127.264 2.225 . . . . 0.0 113.763 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.5 p -137.37 152.27 49.5 Favored 'General case' 0 C--N 1.365 1.241 0 CA-C-O 123.565 1.65 . . . . 0.0 110.694 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.0 -40.77 77.21 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 127.349 2.259 . . . . 0.0 112.882 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.316 11.9 mmm180 -70.7 -33.26 70.69 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -72.39 -46.06 56.94 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.737 1.615 . . . . 0.0 113.461 172.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 45' ' ' SER 0.291 8.9 p -66.94 -45.76 86.52 Favored 'Isoleucine or valine' 0 C--N 1.391 2.379 0 O-C-N 119.902 -1.749 . . . . 0.0 111.736 173.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.79 -33.73 70.67 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.107 1.363 . . . . 0.0 114.405 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -67.51 -43.71 80.2 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.125 1.77 . . . . 0.0 114.19 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -63.11 -41.21 99.32 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 124.871 2.272 . . . . 0.0 111.843 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.725 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.72 -46.85 87.89 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.63 172.335 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 53' ' ' TRP 1.027 27.6 m -66.29 -31.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.346 3.058 . . . . 0.0 115.734 170.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.15 -39.18 91.74 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.946 1.698 . . . . 0.0 111.182 163.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.327 . . -65.32 -41.66 93.77 Favored 'General case' 0 C--N 1.38 1.91 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 169.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.638 ' CG ' HG12 ' A' ' 57' ' ' VAL . 7.6 t80 -51.95 -14.98 0.45 Allowed 'General case' 0 CA--C 1.581 2.169 0 C-N-CA 131.27 3.828 . . . . 0.0 113.761 -169.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.38 6.21 80.75 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 118.345 -2.722 . . . . 0.0 117.438 165.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 63' ' ' ALA 0.322 0.0 OUTLIER -97.73 -52.1 3.86 Favored 'General case' 0 C--N 1.37 1.499 0 C-N-CA 127.275 2.23 . . . . 0.0 115.527 -178.28 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB2' ' HE3' ' A' ' 62' ' ' LYS . . . -92.0 29.2 1.65 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 119.359 -2.088 . . . . 0.0 114.142 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -101.2 92.69 2.67 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 126.084 1.754 . . . . 0.0 114.242 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 169.14 9.39 Favored 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 123.524 2.816 . . . . 0.0 111.596 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.78 62.63 7.9 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.369 3.38 . . . . 0.0 111.025 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.4 135.49 20.63 Favored Pre-proline 0 C--N 1.356 0.87 0 C-N-CA 127.455 2.302 . . . . 0.0 110.602 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -81.45 174.6 10.4 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 124.079 3.186 . . . . 0.0 112.356 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -64.62 54.82 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.213 1 C-N-CA 125.598 4.199 . . . . 0.0 117.581 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.93 -42.1 0.6 Allowed Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 129.606 3.163 . . . . 0.0 112.132 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.63 -40.75 44.12 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 C-N-CA 124.543 3.495 . . . . 0.0 117.252 172.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.9 161.36 27.06 Favored 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-N 127.29 3.639 . . . . 0.0 113.656 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.3 103.11 14.51 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.8 t -170.12 169.2 8.04 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 tp -149.36 109.78 4.2 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.0 m -112.68 -54.06 2.66 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 121.836 -0.54 . . . . 0.0 110.923 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -50.64 -47.53 58.44 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.1 mt -111.62 49.13 0.91 Allowed 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.754 1.622 . . . . 0.0 108.956 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -157.4 -51.26 0.07 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.124 -0.985 . . . . 0.0 110.64 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.364 1.199 0 C-N-CA 128.396 2.678 . . . . 0.0 111.393 -177.712 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -74.04 -19.21 79.8 Favored Glycine 0 C--N 1.364 2.115 0 C-N-CA 127.2 2.333 . . . . 0.0 116.253 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -123.71 149.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 172.005 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 7' ' ' LEU 0.28 9.8 p-10 -88.78 63.56 6.91 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 178.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.565 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.699 1.9 m-85 -78.69 -67.62 0.73 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 128.146 2.578 . . . . 0.0 117.952 156.205 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 47.5 m -55.82 -43.77 77.25 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 129.683 3.193 . . . . 0.0 118.413 -163.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.64 -30.65 76.69 Favored Glycine 0 C--N 1.37 2.457 0 O-C-N 118.162 -2.836 . . . . 0.0 115.22 167.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 3' ' ' ASP . 2.5 mp -75.58 -41.31 54.96 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 118.697 -2.649 . . . . 0.0 109.429 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.565 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.324 0.0 OUTLIER -69.33 -41.18 77.01 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 169.316 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.367 0.5 OUTLIER -82.33 -23.33 35.16 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.57 -38.52 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.324 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 11.9 m-85 -107.19 -29.53 9.29 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 124.042 3.11 . . . . 0.0 114.206 -170.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.75 -97.27 1.42 Allowed Glycine 0 C--N 1.355 1.631 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -78.83 -33.65 45.87 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -144.14 162.58 35.94 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HD22 ' A' ' 7' ' ' LEU . 4.9 mp -82.93 149.19 58.91 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.987 2.115 . . . . 0.0 112.739 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 7' ' ' LEU . 93.2 Cg_endo -74.92 -178.94 4.49 Favored 'Trans proline' 0 N--CA 1.459 -0.545 1 C-N-CA 125.616 4.211 . . . . 0.0 116.222 175.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -94.77 164.99 12.71 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 129.036 2.935 . . . . 0.0 109.634 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.4 p -57.44 -26.39 61.12 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -57.99 -47.58 82.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 126.385 1.874 . . . . 0.0 113.667 176.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -79.55 -42.3 22.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 124.775 1.23 . . . . 0.0 113.248 164.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CE2' HD21 ' A' ' 7' ' ' LEU 0.543 3.7 t80 -70.59 -42.52 70.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -165.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 32' ' ' PRO 0.327 56.0 m-85 -75.75 -21.96 56.95 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.547 1.521 . . . . 0.0 111.332 170.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.39 -21.87 10.68 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -175.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.1 m -106.27 122.69 46.75 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.581 -1.949 . . . . 0.0 109.991 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 29' ' ' LYS . 1.6 t -46.35 -29.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.907 0 C-N-CA 130.692 3.597 . . . . 0.0 115.83 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.38 -43.58 44.32 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 129.917 3.287 . . . . 0.0 112.84 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.3 -39.39 5.24 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 121.314 -0.866 . . . . 0.0 111.91 167.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -54.64 -18.71 4.86 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 128.974 2.909 . . . . 0.0 118.177 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.62 -18.13 65.2 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 126.608 1.963 . . . . 0.0 114.732 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.07 -75.83 0.52 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.139 3.376 . . . . 0.0 115.26 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' CG ' ' A' ' 36' ' ' PHE 0.257 41.4 t -149.3 139.69 13.57 Favored Pre-proline 0 CA--C 1.498 -1.036 1 N-CA-C 100.166 -4.013 . . . . 0.0 100.166 179.228 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 71.5 Cg_endo -82.32 -38.0 0.2 Allowed 'Trans proline' 0 N--CA 1.443 -1.46 0 CA-C-N 124.579 2.671 . . . . 0.0 117.307 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 0.506 0.4 OUTLIER -178.06 -177.95 0.64 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-N 124.533 3.333 . . . . 0.0 109.641 -174.906 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 1.9 m-85 -44.46 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.376 1.76 1 C-N-CA 134.06 4.944 . . . . 0.0 117.882 -174.481 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.68 39.7 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 129.505 3.122 . . . . 0.0 114.529 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CG ' HG13 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -75.5 -45.73 36.48 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.607 1.563 . . . . 0.0 106.991 170.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' ' 34' ' ' TYR 0.587 0.5 OUTLIER -63.06 -29.55 70.9 Favored 'General case' 0 C--N 1.378 1.821 0 N-CA-C 118.885 2.92 . . . . 0.0 118.885 179.459 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -69.64 -37.53 76.81 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 122.086 2.221 . . . . 0.0 113.234 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -69.38 -35.59 75.96 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.302 1.841 . . . . 0.0 113.635 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.84 -38.22 67.18 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.174 1.789 . . . . 0.0 113.809 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.68 -9.55 53.82 Favored 'General case' 0 C--N 1.372 1.568 0 O-C-N 120.048 -1.657 . . . . 0.0 114.354 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 -13.18 2.54 Favored Glycine 0 C--N 1.359 1.813 0 C-N-CA 126.442 1.972 . . . . 0.0 116.257 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.91 142.33 43.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.456 2.302 . . . . 0.0 113.104 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -85.69 52.48 2.48 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.615 1.566 . . . . 0.0 114.91 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -73.31 -17.9 61.25 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 126.982 2.113 . . . . 0.0 112.286 172.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.77 -4.77 21.36 Favored 'General case' 0 C--N 1.375 1.679 0 N-CA-C 119.655 3.206 . . . . 0.0 119.655 -167.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -66.17 -17.38 64.68 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 129.915 3.286 . . . . 0.0 115.355 175.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -146.63 127.25 14.22 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.823 -1.798 . . . . 0.0 107.153 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -61.73 -36.3 80.57 Favored 'General case' 0 C--N 1.374 1.658 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . 0.25 17.4 mmt180 -73.15 -34.99 66.39 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -73.36 -46.75 47.3 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-N 120.107 1.321 . . . . 0.0 114.474 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.61 -44.81 93.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 O-C-N 120.179 -1.576 . . . . 0.0 111.689 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.694 ' O ' HG22 ' A' ' 57' ' ' VAL 0.444 0.0 OUTLIER -61.74 -33.54 74.24 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.074 1.35 . . . . 0.0 113.149 174.408 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -67.16 -44.25 80.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.935 1.694 . . . . 0.0 114.597 168.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.73 -38.77 92.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 125.494 2.569 . . . . 0.0 111.162 172.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -60.76 -52.2 66.09 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.583 170.457 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 53' ' ' TRP 1.15 34.9 m -59.65 -31.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 128.464 2.706 . . . . 0.0 116.591 170.128 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.07 -43.97 98.08 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 126.801 2.04 . . . . 0.0 111.777 162.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.331 . . -61.86 -37.67 85.39 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 166.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.621 ' CG ' HG12 ' A' ' 57' ' ' VAL . 10.6 t80 -52.38 -14.59 0.49 Allowed 'General case' 0 CA--C 1.577 1.989 0 C-N-CA 129.203 3.001 . . . . 0.0 115.963 -171.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.24 6.15 61.41 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 127.328 2.394 . . . . 0.0 116.293 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.69 -46.29 7.64 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.856 2.462 . . . . 0.0 114.49 -179.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.05 29.3 6.46 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.813 -1.805 . . . . 0.0 114.645 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 tt -104.22 61.63 0.09 OUTLIER Pre-proline 0 CA--C 1.568 1.662 0 N-CA-C 119.401 3.111 . . . . 0.0 119.401 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.05 162.41 13.63 Favored 'Trans proline' 0 CA--C 1.559 1.735 0 O-C-N 114.144 -3.661 . . . . 0.0 111.49 172.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -82.53 36.83 0.64 Allowed 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 124.241 3.294 . . . . 0.0 114.909 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.13 -48.92 0.03 OUTLIER Pre-proline 0 C--N 1.354 0.804 0 CA-C-O 116.648 -1.644 . . . . 0.0 114.439 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.16 -20.99 67.84 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 124.717 3.611 . . . . 0.0 120.82 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.01 78.41 0.58 Allowed 'Trans proline' 0 C--N 1.369 1.633 1 CA-C-N 129.718 4.507 . . . . 0.0 115.867 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.34 -44.75 0.84 Allowed Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 127.8 2.44 . . . . 0.0 115.614 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.47 -38.31 95.59 Favored 'Trans proline' 0 C--N 1.371 1.744 1 C-N-CA 125.558 4.172 . . . . 0.0 117.842 171.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.42 162.37 30.92 Favored 'Trans proline' 0 CA--C 1.56 1.818 1 C-N-CA 126.838 5.025 . . . . 0.0 113.25 171.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.12 135.23 49.01 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.909 1.683 . . . . 0.0 107.523 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.1 m -3.27 101.5 0.01 OUTLIER 'General case' 0 C--N 1.366 1.313 1 C-N-CA 134.063 4.945 . . . . 0.0 121.391 177.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.6 mt -105.89 -14.25 15.26 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 124.127 0.971 . . . . 0.0 113.256 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 m 175.69 70.41 0.01 OUTLIER 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.755 2.022 . . . . 0.0 106.721 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 86.16 -70.17 0.02 OUTLIER 'General case' 0 C--N 1.37 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 109.595 -175.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.07 -63.11 1.39 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 128.857 2.863 . . . . 0.0 103.984 170.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.381 0.2 OUTLIER -153.34 -19.41 0.15 Allowed 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 119.122 -2.236 . . . . 0.0 113.24 169.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t60 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 100.754 -3.795 . . . . 0.0 100.754 171.005 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.439 -1.01 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -75.42 -13.99 82.38 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 124.715 1.15 . . . . 0.0 115.702 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.08 133.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 125.011 1.324 . . . . 0.0 107.512 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' O ' HD13 ' A' ' 7' ' ' LEU . 25.6 t0 -85.45 67.04 9.98 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' HB3' ' HE ' ' A' ' 8' ' ' ARG 0.58 0.4 OUTLIER -76.92 -64.78 1.05 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.751 3.22 . . . . 0.0 118.393 156.546 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' THR 0.382 1.5 t -56.56 -47.4 79.57 Favored 'General case' 0 C--N 1.386 2.184 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 -164.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.73 62.7 Favored Glycine 0 C--N 1.373 2.59 0 CA-C-N 124.582 3.356 . . . . 0.0 117.313 172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD12 ' H ' ' A' ' 7' ' ' LEU 0.337 1.0 OUTLIER -77.06 -49.26 15.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 129.568 3.147 . . . . 0.0 110.444 178.676 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HE ' ' HB3' ' A' ' 4' ' ' TYR 0.359 1.7 ptt85 -69.64 -38.16 77.07 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 117.67 2.47 . . . . 0.0 117.67 168.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 5' ' ' SER 0.396 0.9 OUTLIER -82.3 -25.51 33.89 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 177.699 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG22 ' CE1' ' A' ' 11' ' ' PHE . 4.8 mp -101.63 -33.45 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 CA-C-N 121.12 1.782 . . . . 0.0 112.419 171.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' CE1' HG22 ' A' ' 10' ' ' ILE . 19.5 m-85 -115.09 -30.48 6.34 Favored 'General case' 0 C--N 1.385 2.114 0 O-C-N 118.501 -2.624 . . . . 0.0 114.954 -166.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.61 -137.02 9.39 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 119.113 2.405 . . . . 0.0 119.113 168.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.49 -25.11 67.33 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -145.86 170.52 16.41 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 HD22 ' A' ' 7' ' ' LEU . 2.7 mp -75.99 151.51 84.13 Favored Pre-proline 0 C--N 1.355 0.821 0 CA-C-N 120.024 1.284 . . . . 0.0 113.235 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' CB ' HD11 ' A' ' 20' ' ' ILE . 10.2 Cg_endo -86.81 -178.27 2.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.771 3.648 . . . . 0.0 112.794 -178.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -71.08 156.3 39.77 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 127.853 2.461 . . . . 0.0 114.925 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.353 2.0 p -61.9 -24.63 67.07 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 119.492 3.145 . . . . 0.0 119.492 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.19 91.23 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 126.497 1.919 . . . . 0.0 111.766 174.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 ' CB ' ' A' ' 16' ' ' PRO 0.275 12.7 pt -77.76 -43.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 165.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' CE2' ' OD1' ' A' ' 3' ' ' ASP 0.322 1.1 t80 -63.77 -50.17 70.07 Favored 'General case' 0 C--N 1.376 1.748 0 CA-C-N 121.548 1.976 . . . . 0.0 113.36 -176.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 4.5 m-85 -74.78 -19.22 60.29 Favored 'General case' 0 C--N 1.368 1.387 0 O-C-N 119.922 -1.736 . . . . 0.0 113.567 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.76 -21.04 11.41 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 m -100.41 124.16 45.56 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 121.623 2.01 . . . . 0.0 112.33 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -46.82 -35.07 2.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 1 C-N-CA 131.825 4.05 . . . . 0.0 114.26 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.28 -34.94 16.51 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 129.712 3.205 . . . . 0.0 112.552 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.8 -39.78 5.24 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.786 167.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . 0.292 8.2 t-160 -62.04 -17.96 59.08 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 119.69 3.219 . . . . 0.0 119.69 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -59.84 -22.28 62.04 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.9 2.48 . . . . 0.0 114.54 173.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -103.2 -66.43 0.94 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 131.246 3.818 . . . . 0.0 114.576 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 36' ' ' PHE . 1.2 m -155.74 156.42 30.65 Favored Pre-proline 0 C--N 1.363 1.164 0 N-CA-C 102.23 -3.248 . . . . 0.0 102.23 176.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -83.92 -40.44 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 N-CA-C 121.963 3.794 . . . . 0.0 121.963 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE 1.002 0.3 OUTLIER 177.23 -173.62 0.11 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.697 1.999 . . . . 0.0 111.349 -175.429 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' HA ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 m-85 -43.4 -20.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 1 C-N-CA 132.012 4.125 . . . . 0.0 116.995 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -49.42 66.09 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 131.377 3.871 . . . . 0.0 114.117 170.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 26.3 t80 -74.94 -39.33 61.41 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 125.2 1.4 . . . . 0.0 107.73 171.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.634 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.3 mt -60.11 -38.1 81.98 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -72.49 -38.95 68.01 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.11 -34.33 74.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.704 2.402 . . . . 0.0 112.515 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.47 -46.68 25.75 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.627 1.971 . . . . 0.0 114.825 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.6 -9.56 55.8 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-N 121.912 2.142 . . . . 0.0 114.877 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 -13.05 2.56 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 125.529 1.538 . . . . 0.0 116.613 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.253 0.4 OUTLIER -109.53 151.27 26.98 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.055 2.142 . . . . 0.0 114.238 -176.245 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.7 m -86.08 42.62 0.99 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.325 2.65 . . . . 0.0 116.139 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.2 m -73.96 -11.84 60.46 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.309 1.444 . . . . 0.0 111.214 168.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.57 1.2 Allowed 'General case' 0 C--N 1.353 0.743 1 C-N-CA 134.318 5.047 . . . . 0.0 118.213 -172.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -71.14 -40.04 71.6 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 131.017 3.727 . . . . 0.0 113.711 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -147.98 161.53 41.16 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-O 123.179 1.466 . . . . 0.0 108.934 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TRP . 1.7 t30 -56.05 -51.1 69.04 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.99 2.516 . . . . 0.0 114.236 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.743 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -55.86 -46.07 78.34 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 130.196 3.398 . . . . 0.0 114.946 178.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -73.13 -46.61 50.13 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.272 1.829 . . . . 0.0 115.608 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.62 -39.07 77.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.919 0 O-C-N 120.336 -1.478 . . . . 0.0 111.838 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -65.12 -34.0 77.36 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 126.322 1.849 . . . . 0.0 114.158 171.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -67.69 -43.43 80.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 127.276 2.23 . . . . 0.0 113.35 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -66.66 -35.74 80.87 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 124.387 2.041 . . . . 0.0 111.355 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.63 -42.79 98.11 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.999 169.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 53' ' ' TRP 1.134 34.2 m -67.16 -31.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 128.989 2.915 . . . . 0.0 116.132 171.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.97 -41.59 99.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.907 2.083 . . . . 0.0 111.377 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 56' ' ' PHE 0.32 . . -62.81 -42.04 99.55 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 168.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CG ' HG12 ' A' ' 57' ' ' VAL . 4.4 t80 -52.05 -14.74 0.44 Allowed 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 130.901 3.681 . . . . 0.0 115.785 -166.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.22 6.11 75.44 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 127.573 2.511 . . . . 0.0 116.804 168.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -94.58 -52.87 4.11 Favored 'General case' 0 C--N 1.368 1.382 0 C-N-CA 127.452 2.301 . . . . 0.0 114.76 -178.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.1 29.83 2.33 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 120.1 -1.625 . . . . 0.0 113.093 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.4 tp -84.65 144.08 42.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 127.989 2.516 . . . . 0.0 112.369 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.34 91.01 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 123.395 2.73 . . . . 0.0 110.396 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.28 2.97 8.17 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.204 3.269 . . . . 0.0 113.94 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.72 -57.19 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.736 0 CA-C-O 116.275 -1.821 . . . . 0.0 112.038 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.85 141.78 13.62 Favored 'Trans proline' 0 CA--C 1.553 1.465 0 CA-C-N 126.018 3.185 . . . . 0.0 112.197 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.41 72.69 5.39 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 125.429 4.086 . . . . 0.0 111.17 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.26 97.4 9.94 Favored Pre-proline 0 C--N 1.354 0.779 0 C-N-CA 128.677 2.791 . . . . 0.0 112.743 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -143.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.272 0 C-N-CA 124.797 3.664 . . . . 0.0 108.963 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.03 139.74 5.45 Favored 'Trans proline' 0 C--N 1.369 1.629 1 CA-C-N 129.106 4.288 . . . . 0.0 111.033 175.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.72 102.53 15.15 Favored 'General case' 0 C--N 1.363 1.154 0 O-C-N 119.857 -1.777 . . . . 0.0 108.861 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 t -153.99 30.29 0.45 Allowed 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.8 mt -141.62 -85.86 0.18 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.572 1.549 . . . . 0.0 112.656 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.398 82.7 p 87.01 -46.24 0.04 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 128.718 2.807 . . . . 0.0 113.762 -175.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -77.58 -21.92 51.71 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.456 1.902 . . . . 0.0 114.724 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 tp -130.52 24.64 5.11 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.593 1.557 . . . . 0.0 109.054 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -151.15 38.62 0.65 Allowed 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.061 -1.649 . . . . 0.0 107.714 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.359 1.011 0 C-N-CA 125.214 1.406 . . . . 0.0 111.882 -177.125 . . . . . . . . 0 0 . 1 stop_ save_