data_2bun_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 2bun _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.413 HD22 ' O ' ' A' ' 97' ' ' ALA . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 95' ' ' SER . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.668 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.592 ' O ' HD22 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' O ' HG11 ' A' ' 38' ' ' VAL . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 34' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 6.5 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.2 m-20 -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' ' 106' ' ' MET . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.459 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.1 t-80 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.662 ' NE2' HD13 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 79' ' ' ILE . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HB3' HD23 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 26' ' ' ALA 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.668 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.546 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HD22 ' A' ' 16' ' ' LEU . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 99' ' ' ARG . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.564 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.739 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 28' ' ' ASP . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 26' ' ' ALA . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HD21 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 13.9 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.449 HD21 ' HB2' ' A' ' 104' ' ' TRP . 5.4 m-20 -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 58' ' ' GLN . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.637 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.3 t-80 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.709 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.5 ' NE2' HG12 ' A' ' 88' ' ' VAL . 28.5 mm-40 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.709 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 85' ' ' HIS . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.425 ' HE2' ' CG ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.739 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.512 HD13 ' CA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.485 ' HA ' ' N ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 . . . . . 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 88' ' ' VAL . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' OD2' ' HD3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.53 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.506 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 3.4 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.648 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.5 t-80 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.638 ' O ' HG11 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.67 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.468 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 103' ' ' GLY . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.648 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.53 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HZ ' ' A' ' 62' ' ' PHE . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.651 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.594 ' HZ ' ' SG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.68 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.5 t-80 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.546 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.421 HG21 HG22 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' NE2' HG23 ' A' ' 88' ' ' VAL . 30.7 mm-40 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 98' ' ' LYS . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.528 ' CG ' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.68 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.577 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.504 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 . . . . . 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.568 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 5.1 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' SER . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.3 t-80 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' CB ' HD13 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.521 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 88' ' ' VAL . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' NE2' HD13 ' A' ' 90' ' ' ILE . 29.2 mm-40 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.686 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.686 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.472 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.689 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 98' ' ' LYS . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' A' ' 96' ' ' ILE . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.611 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 121.92 0.866 . . . . 10.0 109.531 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.65 ' OG ' HD12 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.478 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD21 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 2.9 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.507 ' HG2' ' CB ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.4 t-80 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 HG21 HG22 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' A' ' 88' ' ' VAL . 28.5 mm-40 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.527 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.737 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.65 HD12 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.416 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.545 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 . . . . . 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 . . . . . 0 N--CA 1.419 -2.002 0 CA-C-O 121.893 0.854 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.607 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB2' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ALA . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.59 ' O ' HD21 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.472 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.0 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.722 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD2' ' HB1' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.59 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.1 t-80 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.692 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' A' ' 88' ' ' VAL . 28.9 mm-40 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.692 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.63 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.554 ' CA ' HD13 ' A' ' 96' ' ' ILE . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.515 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.689 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.722 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.418 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 . . . . . 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.731 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' ALA . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.636 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.636 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 27.2 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 6.2 m-20 -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.731 HD12 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.5 ' NE2' HD11 ' A' ' 54' ' ' LEU . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.3 t-80 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.54 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 HG21 ' CE1' ' A' ' 85' ' ' HIS . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.493 ' NE2' HG12 ' A' ' 88' ' ' VAL . 30.4 mm-40 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 83' ' ' ARG . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.731 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.526 ' HA ' HD13 ' A' ' 96' ' ' ILE . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.731 ' SD ' HD12 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 . . . . . 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.731 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.54 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 1.7 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 31.9 t-80 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.546 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 82' ' ' ASP . 28.9 mm-40 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.652 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.652 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.452 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.731 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.43 ' HA ' HG23 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.526 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.532 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 . . . . . 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.65 ' O ' HD21 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.2 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.499 ' NE2' ' HE1' ' A' ' 104' ' ' TRP . 10.3 tm0? -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.2 t-80 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.543 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.706 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG23 HE21 ' A' ' 80' ' ' GLN . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.492 ' NE2' HG12 ' A' ' 88' ' ' VAL . 32.3 mm-40 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.706 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 26' ' ' ALA 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.451 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.502 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.409 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.442 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.485 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 . . . . . 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.711 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 84' ' ' ARG . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' ALA . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.641 ' O ' HD21 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 10.4 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.663 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.418 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 36.4 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.663 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 29.8 t-80 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 26.2 mm-40 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.516 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 38.0 m-80 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.61 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.711 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.452 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 103' ' ' GLY . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 . . . . . 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.749 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.614 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.655 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.655 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.502 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.8 t-80 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.524 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.462 HG23 HE21 ' A' ' 80' ' ' GLN . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.514 ' NE2' HG12 ' A' ' 88' ' ' VAL . 25.0 mm-40 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.614 ' HD3' ' OD1' ' A' ' 33' ' ' ASP . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.435 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.412 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.749 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 98' ' ' LYS . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.46 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.516 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 . . . . . 0 N--CA 1.411 -2.394 0 CA-C-O 122.166 0.984 . . . . 10.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' O ' HD21 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 11.2 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.514 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 59' ' ' GLY . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 57' ' ' SER . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.514 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.0 t-80 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.627 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.525 ' NE2' HD13 ' A' ' 90' ' ' ILE . 28.7 mm-40 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.546 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.588 ' NE2' ' HB ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.41 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.588 ' HB ' ' NE2' ' A' ' 85' ' ' HIS 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.68 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 98' ' ' LYS . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HA ' HD13 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.585 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.612 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.658 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.708 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.67 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.698 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.698 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.5 t-80 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD11 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.674 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.445 ' C ' ' H ' ' A' ' 82' ' ' ASP . 28.8 mm-40 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.671 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 29' ' ' LEU . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.671 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.635 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.543 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.708 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.67 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.608 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.589 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.678 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.676 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HA ' HD11 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' ASP . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 42' ' ' GLN . 9.9 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 106' ' ' MET . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.589 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.608 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.634 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.634 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.678 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HA ' HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.456 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' A' ' 103' ' ' GLY . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 . . . . . 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 . . . . . 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.575 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.593 ' O ' HD21 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 6.4 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.651 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.657 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.456 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.6 t-80 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 90' ' ' ILE . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 82' ' ' ASP . 24.9 mm-40 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.65 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.418 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.643 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.531 HD13 ' CA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HE3' ' HG ' ' A' ' 16' ' ' LEU . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 . . . . . 0 CA--C 1.479 -1.776 0 CA-C-O 121.826 0.822 . . . . 10.0 110.782 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.616 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.401 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' ALA . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.634 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HA ' HD11 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 84' ' ' ARG . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 12.4 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.0 t-80 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.489 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.605 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.699 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HB3' HD13 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.699 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.693 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.573 HD11 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 103' ' ' GLY . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.478 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 . . . . . 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD21 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' ALA . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.657 ' O ' HD21 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.738 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.8 t-80 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 28.7 mm-40 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.55 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.599 ' OD1' HD21 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.566 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 103' ' ' GLY . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.574 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.626 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 107' ' ' GLN . 6.1 tp60 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 . . . . . 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.734 ' CD1' HG21 ' A' ' 88' ' ' VAL . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.592 ' O ' HD22 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.607 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.593 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' ASP . 32.9 t-80 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' O ' ' HD2' ' A' ' 78' ' ' HIS . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 21.7 m-70 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 79' ' ' ILE . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 88' ' ' VAL . 25.2 mm-40 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.518 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HB2' ' CD2' ' A' ' 29' ' ' LEU 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' H ' ' HB ' ' A' ' 90' ' ' ILE . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.537 HD13 ' CA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 19.0 m-70 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER . . . . . 0 CA--C 1.472 -2.058 0 CA-C-O 122.255 1.026 . . . . 10.0 110.725 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG21 ' A' ' 88' ' ' VAL . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 9.7 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.619 HD21 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CB ' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.538 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 24.7 t-80 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.564 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.659 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' OD2' ' HD2' ' A' ' 85' ' ' HIS 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.68 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.551 ' OE1' ' HA ' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.547 ' HA ' HD13 ' A' ' 96' ' ' ILE . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.559 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.6 m-70 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.444 ' H3 ' HD23 ' A' ' 5' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.513 -0.453 0 N-CA-C 108.965 -0.754 . . . . 90.0 108.965 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -117.2 146.49 43.21 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 109.359 -0.608 . . . . 90.0 109.359 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.69 137.37 35.42 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.113 0.483 . . . . 90.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.11 154.28 28.17 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.53 -0.544 . . . . 90.0 109.53 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.73 -20.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 N-CA-C 113.17 0.804 . . . . 90.0 113.17 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p 62.31 -159.18 0.32 Allowed 'General case' 0 C--O 1.246 0.878 0 C-N-CA 124.977 1.311 . . . . 90.0 111.634 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -73.72 90.9 1.86 Allowed 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.276 0.489 . . . . 90.0 111.471 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -113.46 100.4 8.5 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.768 0.794 . . . . 90.0 110.986 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 97' ' ' ALA . . . -166.84 89.8 0.1 OUTLIER Glycine 0 N--CA 1.412 -2.931 0 N-CA-C 109.503 -1.439 . . . . 90.0 109.503 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.4 m -82.12 -39.7 22.93 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 120.892 0.377 . . . . 90.0 111.197 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -122.55 58.05 1.08 Allowed 'General case' 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -172.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD22 ' O ' ' A' ' 97' ' ' ALA . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 95' ' ' SER . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.668 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.592 ' O ' HD22 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' O ' HG11 ' A' ' 38' ' ' VAL . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 34' ' ' LEU . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 34' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 6.5 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.2 m-20 -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' ' 106' ' ' MET . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.459 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.602 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.1 t-80 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.662 ' NE2' HD13 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 79' ' ' ILE . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HB3' HD23 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 26' ' ' ALA 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.668 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.546 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 99' ' ' ARG . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.564 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -77.02 -42.97 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.29 120.88 20.45 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.788 0.804 . . . . 10.0 111.496 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -131.57 -159.41 0.96 Allowed 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.513 -1.662 . . . . 90.0 106.513 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 75.7 m -67.42 89.61 0.22 Allowed 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.702 -0.851 . . . . 90.0 108.702 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 m 71.39 169.47 0.32 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.106 1.763 . . . . 90.0 109.524 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.52 -30.96 8.34 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 116.06 -0.518 . . . . 90.0 110.959 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.89 116.44 0.06 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 126.802 2.041 . . . . 90.0 112.648 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 t70 75.64 -38.93 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.614 1.709 . . . . 90.0 115.614 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ptm -80.83 1.41 30.72 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.831 0.824 . . . . 90.0 111.046 -176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.84 -27.06 39.39 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.411 1.484 . . . . 90.0 113.123 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 p -69.95 -10.67 59.38 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.244 0.545 . . . . 90.0 111.238 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.67 9.27 43.68 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.959 -0.564 . . . . 90.0 111.655 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.73 -47.89 0.19 Allowed Glycine 0 C--O 1.238 0.4 0 C-N-CA 119.148 -1.501 . . . . 90.0 113.992 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.73 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.307 0.575 . . . . 90.0 110.407 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.17 77.88 1.71 Allowed 'General case' 0 N--CA 1.413 -2.286 0 CA-C-N 115.508 -0.769 . . . . 90.0 109.695 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.67 -51.21 29.25 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.405 -0.816 . . . . 90.0 111.097 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.4 m -143.59 168.6 19.49 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.619 -0.511 . . . . 90.0 109.619 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -99.54 -54.17 3.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.603 0.565 . . . . 90.0 110.787 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.362 -0.977 . . . . 90.0 108.362 -175.395 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.237 0.421 0 N-CA-C 109.879 -0.415 . . . . 90.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.21 150.68 26.36 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 108.063 -1.088 . . . . 90.0 108.063 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.89 148.69 47.51 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 123.524 0.515 . . . . 90.0 110.458 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.86 138.4 38.91 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.225 -0.443 . . . . 90.0 111.298 -174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.84 5.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.145 1.165 . . . . 90.0 114.145 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 ' OG1' HG22 ' A' ' 12' ' ' THR . 36.2 p 70.65 -170.88 0.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.579 1.951 . . . . 90.0 111.835 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -83.89 13.83 4.57 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.059 -0.401 . . . . 90.0 111.883 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.42 HG22 ' OG1' ' A' ' 10' ' ' THR . 18.4 p -49.43 131.86 20.63 Favored 'General case' 0 C--O 1.252 1.193 0 N-CA-C 115.178 1.547 . . . . 90.0 115.178 -173.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.5 140.67 11.5 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 107.338 -2.305 . . . . 90.0 107.338 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -89.84 -62.74 1.4 Allowed 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 114.218 1.192 . . . . 90.0 114.218 -172.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 -112.84 53.12 0.76 Allowed 'General case' 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 -167.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.739 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 28' ' ' ASP . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 26' ' ' ALA . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HD21 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 13.9 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.449 HD21 ' HB2' ' A' ' 104' ' ' TRP . 5.4 m-20 -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 58' ' ' GLN . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.637 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.3 t-80 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.709 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.5 ' NE2' HG12 ' A' ' 88' ' ' VAL . 28.5 mm-40 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.709 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 85' ' ' HIS . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.495 ' HG3' H5'2 ' A' 1126 ' ' FAD . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.425 ' HE2' ' CG ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.739 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.512 HD13 ' CA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.485 ' HA ' ' N ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -76.79 -37.8 55.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.52 -79.64 0.14 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.929 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 m 68.77 -40.92 0.45 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.313 1.445 . . . . 90.0 112.225 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.9 p -166.31 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 124.553 1.141 . . . . 90.0 109.227 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 p 54.08 62.67 2.49 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 122.298 1.047 . . . . 90.0 110.318 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.529 ' OE1' ' HB3' ' A' ' 115' ' ' MET . 44.7 mt-10 66.72 -72.86 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.649 1.98 . . . . 90.0 111.296 -175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 69.19 14.67 8.66 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 126.156 1.782 . . . . 90.0 109.763 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -104.82 -70.16 0.78 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.433 -1.258 . . . . 90.0 109.697 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.529 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . 56.1 ttp -76.41 -51.79 11.15 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 107.947 -1.131 . . . . 90.0 107.947 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 69.8 -4.12 1.53 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.842 0.857 . . . . 90.0 113.288 173.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 m -70.45 3.69 2.84 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.211 1.004 . . . . 90.0 111.961 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.86 1.22 15.61 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.752 -0.658 . . . . 90.0 112.432 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.8 -27.6 2.68 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.504 -0.855 . . . . 90.0 112.442 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.18 -49.78 63.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.84 89.32 2.96 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 114.841 -1.072 . . . . 90.0 109.126 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -94.58 -32.36 13.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.2 m 68.83 104.59 0.05 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.736 -1.12 . . . . 90.0 112.752 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -52.62 -21.34 3.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.91 1.284 . . . . 90.0 112.598 175.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.548 HE21 ' HA ' ' A' ' 125' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.425 -0.954 . . . . 90.0 108.425 176.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.511 HM71 ' OH ' ' A' ' 21' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 109.166 -0.679 . . . . 90.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -102.44 166.16 10.7 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.38 133.16 20.17 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 123.876 0.87 . . . . 90.0 111.884 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.6 166.88 12.28 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.032 -0.985 . . . . 90.0 108.607 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.4 m -60.7 -27.21 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 112.557 0.577 . . . . 90.0 112.557 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 p 57.48 -162.8 0.2 Allowed 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.719 1.208 . . . . 90.0 113.684 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.5 mtm -82.17 169.43 16.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 90.0 112.176 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.3 p 69.35 -15.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.044 2.138 . . . . 90.0 114.68 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 -98.41 0.44 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 108.999 -1.64 . . . . 90.0 108.999 -174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -177.89 -77.85 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 121.07 0.462 . . . . 90.0 110.99 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -114.87 49.48 1.04 Allowed 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 -169.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 88' ' ' VAL . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' OD2' ' HD3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.53 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.481 ' HA ' ' O4 ' ' A' 1126 ' ' FAD . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.506 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 3.4 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.648 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.5 t-80 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.638 ' O ' HG11 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.722 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.67 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.468 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 103' ' ' GLY . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.648 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.53 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -85.25 -28.39 25.4 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.9 tp -86.37 77.76 9.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 106.874 -1.528 . . . . 10.0 106.874 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.0 t -161.71 130.32 4.35 Favored 'General case' 0 N--CA 1.411 -2.389 0 N-CA-C 104.788 -2.301 . . . . 90.0 104.788 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 65.3 m 57.35 54.08 6.99 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.103 0.877 . . . . 90.0 110.782 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -79.99 80.52 6.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.989 -0.745 . . . . 90.0 108.989 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.417 1.2 pp20? 49.76 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.79 2.036 . . . . 90.0 113.391 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 51.64 21.24 1.27 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.478 1.511 . . . . 90.0 111.773 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -136.12 -35.85 0.76 Allowed 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.763 -0.653 . . . . 90.0 109.296 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 21.1 ttt -78.65 -34.58 46.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.574 -2.01 . . . . 90.0 105.574 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 72.01 23.12 3.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.381 1.873 . . . . 90.0 112.275 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -84.77 -18.93 33.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.241 -0.891 . . . . 90.0 110.49 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.37 4.72 1.6 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.459 0.911 . . . . 90.0 113.459 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 112.77 1.3 25.76 Favored Glycine 0 C--N 1.302 -1.311 0 C-N-CA 120.244 -0.979 . . . . 90.0 112.4 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -70.1 -53.17 18.56 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.245 -1.391 . . . . 90.0 107.245 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.1 87.92 4.34 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 107.637 -1.246 . . . . 90.0 107.637 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -149.53 -173.62 4.45 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 103.819 -2.66 . . . . 90.0 103.819 -177.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.453 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 17.3 p -110.2 164.2 12.88 Favored 'General case' 0 C--N 1.275 -2.671 0 N-CA-C 109.804 -0.443 . . . . 90.0 109.804 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.12 130.44 10.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.864 -1.161 . . . . 90.0 107.864 175.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.282 -2.329 0 N-CA-C 109.589 -0.523 . . . . 90.0 109.589 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.737 ' H2A' ' O2 ' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 106.35 -1.722 . . . . 90.0 106.35 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.16 147.49 22.89 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.459 -0.571 . . . . 90.0 109.459 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.43 145.46 36.12 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.066 0.46 . . . . 90.0 110.834 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -129.62 137.03 50.46 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.148 -1.056 . . . . 90.0 108.148 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.75 -9.14 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-O 120.901 0.381 . . . . 90.0 111.566 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 p 64.64 22.19 12.57 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.216 1.806 . . . . 90.0 113.788 174.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -89.23 122.53 32.6 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-O 121.605 0.717 . . . . 90.0 112.245 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.0 p -105.57 -5.01 20.52 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.627 1.203 . . . . 90.0 108.866 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.83 -169.29 42.39 Favored Glycine 0 N--CA 1.413 -2.881 0 N-CA-C 109.152 -1.579 . . . . 90.0 109.152 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 t -160.4 -135.14 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 104.972 -2.232 . . . . 90.0 104.972 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 -127.5 47.41 2.38 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HZ ' ' A' ' 62' ' ' PHE . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.651 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.594 ' HZ ' ' SG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.68 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.5 t-80 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.546 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.424 ' HB3' " H3'" ' A' 1126 ' ' FAD . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.421 HG21 HG22 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' NE2' HG23 ' A' ' 88' ' ' VAL . 30.7 mm-40 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.573 ' HB2' ' C8M' ' A' 1126 ' ' FAD . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 98' ' ' LYS . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.528 ' CG ' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.68 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.577 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.504 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.1 -43.74 97.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.38 94.09 7.62 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -121.09 -50.17 2.16 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.12 0.486 . . . . 90.0 109.827 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 p -145.17 -25.46 0.48 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.048 -0.524 . . . . 90.0 111.29 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.5 p 64.53 167.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.543 1.937 . . . . 90.0 111.013 -174.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.79 -21.25 34.63 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.794 -0.567 . . . . 90.0 111.669 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.99 10.53 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.974 0.892 . . . . 90.0 110.573 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -125.02 -42.22 2.04 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.371 -0.831 . . . . 90.0 111.046 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.21 -50.99 68.07 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 107.632 -1.247 . . . . 90.0 107.632 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 64.72 -44.77 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.02 1.728 . . . . 90.0 114.864 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 t -43.59 -39.63 3.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.21 1.804 . . . . 90.0 112.288 -176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.46 -27.44 24.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.965 1.468 . . . . 90.0 114.965 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -132.58 -15.05 1.45 Allowed Glycine 0 C--N 1.313 -0.72 0 C-N-CA 120.049 -1.072 . . . . 90.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 tp -97.27 -50.28 4.62 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.068 0.461 . . . . 90.0 111.023 -177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.05 31.75 1.82 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 122.046 0.927 . . . . 90.0 111.346 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -121.83 109.71 15.0 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.292 -1.744 . . . . 90.0 106.292 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.4 p -85.3 144.24 28.21 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.704 0.764 . . . . 90.0 111.769 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 121.58 10.47 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 105.317 -2.105 . . . . 90.0 105.317 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 C--N 1.28 -2.448 0 CA-C-N 116.319 -0.401 . . . . 90.0 110.307 -172.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.573 ' C8M' ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp . . . . . 0 C--O 1.236 0.364 0 N-CA-C 108.334 -0.987 . . . . 90.0 108.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.89 158.52 35.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.134 -1.061 . . . . 90.0 108.134 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.29 125.0 17.57 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.902 0.858 . . . . 90.0 111.781 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.53 163.51 23.66 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.899 -1.5 . . . . 90.0 108.572 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.47 -10.65 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.938 1.088 . . . . 90.0 113.938 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -44.8 117.95 1.47 Allowed 'General case' 0 C--O 1.245 0.845 0 C-N-CA 123.954 0.901 . . . . 90.0 112.295 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -78.71 139.39 38.48 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.056 -0.52 . . . . 90.0 111.38 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -97.58 -67.92 0.82 Allowed 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.359 -0.837 . . . . 90.0 110.675 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.76 83.23 0.28 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.296 -0.721 . . . . 90.0 111.296 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -102.52 -44.99 5.19 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 112.775 0.657 . . . . 90.0 112.775 -175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 -115.46 49.34 1.09 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 -171.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.568 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 5.1 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' SER . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.3 t-80 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' CB ' HD13 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.521 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HB3' " H3'" ' A' 1126 ' ' FAD . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 88' ' ' VAL . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' NE2' HD13 ' A' ' 90' ' ' ILE . 29.2 mm-40 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.686 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.686 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.689 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 98' ' ' LYS . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' A' ' 96' ' ' ILE . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.611 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -83.8 13.19 5.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.15 -65.14 0.73 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.609 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.9 t 57.5 -92.0 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.032 0.832 . . . . 90.0 110.217 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 80.4 m -154.87 23.49 0.44 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.967 -1.494 . . . . 90.0 106.967 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.273 7.1 p 56.49 -74.88 0.02 OUTLIER 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.348 1.459 . . . . 90.0 111.787 -170.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -157.92 -54.04 0.07 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.17 -0.678 . . . . 90.0 109.17 170.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.51 24.95 12.47 Favored 'General case' 0 C--N 1.366 1.295 0 CA-C-O 122.593 1.187 . . . . 90.0 109.285 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.468 ' H ' ' HG2' ' A' ' 112' ' ' GLU . 13.6 t70 -97.45 -53.89 3.31 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.818 -1.537 . . . . 90.0 109.397 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.97 -49.08 2.88 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.584 -0.734 . . . . 90.0 111.118 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 28.7 mmt180 68.73 25.26 6.42 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.811 0.694 . . . . 90.0 109.652 -175.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 5.1 p -74.4 2.36 9.61 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 122.413 1.102 . . . . 90.0 110.613 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.64 -29.37 67.97 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.587 -1.642 . . . . 90.0 109.792 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.46 -18.05 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.411 -0.9 . . . . 90.0 113.185 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 116' ' ' ARG . 7.2 mp -84.0 -76.48 0.29 Allowed 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 117.361 0.58 . . . . 90.0 109.783 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -85.5 74.74 10.27 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.24 -1.022 . . . . 90.0 108.24 177.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 -52.03 0.57 Allowed 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 104.269 -2.493 . . . . 90.0 104.269 -177.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 m 73.43 134.78 0.05 OUTLIER 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.881 -1.509 . . . . 90.0 114.543 170.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 117.7 21.31 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.098 -1.445 . . . . 90.0 107.098 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.266 -3.03 0 CA-C-N 114.836 -1.074 . . . . 90.0 109.269 -176.028 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.414 " H3'" ' HB3' ' A' ' 78' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.158 -0.682 . . . . 90.0 109.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -104.95 160.48 14.99 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.493 -0.929 . . . . 90.0 108.493 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 133.67 55.66 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.762 0.663 . . . . 90.0 109.455 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.81 135.72 38.0 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.185 -1.043 . . . . 90.0 108.185 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.08 -16.48 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 N-CA-C 113.283 0.845 . . . . 90.0 113.283 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p 55.77 -157.32 0.24 Allowed 'General case' 0 C--O 1.26 1.621 0 C-N-CA 125.023 1.329 . . . . 90.0 109.795 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 mtt -105.83 83.46 1.92 Allowed 'General case' 0 N--CA 1.407 -2.62 0 CA-C-O 121.862 0.839 . . . . 90.0 109.795 172.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -106.72 -61.47 1.53 Allowed 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 113.965 -1.47 . . . . 90.0 108.78 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.88 -115.6 6.3 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 110.084 -1.206 . . . . 90.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 t -168.05 -96.71 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 121.362 0.601 . . . . 90.0 110.653 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 -137.1 65.83 1.49 Allowed 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 124.973 1.309 . . . . 10.0 109.531 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.65 ' OG ' HD12 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.478 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD21 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 2.9 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.533 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.4 t-80 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 HG21 HG22 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' A' ' 88' ' ' VAL . 28.5 mm-40 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.527 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.737 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.65 HD12 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.416 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.545 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 -79.64 -39.55 31.21 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.2 69.35 7.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.125 0.964 . . . . 10.0 109.015 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 m -104.83 -24.44 12.89 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.667 -1.975 . . . . 90.0 105.667 170.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.2 t 172.58 -178.93 0.07 Allowed 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 102.575 -3.12 . . . . 90.0 102.575 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 p -164.64 -173.71 3.13 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.662 -0.866 . . . . 90.0 108.662 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -56.83 -54.05 50.91 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.248 0.968 . . . . 90.0 108.43 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.19 -7.09 0.13 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.495 1.518 . . . . 90.0 114.699 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.58 -36.76 21.86 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.315 -0.624 . . . . 90.0 109.315 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 65.5 mtt -63.52 -45.14 91.99 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.721 -0.844 . . . . 90.0 108.721 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 68.2 -26.19 0.13 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.248 1.819 . . . . 90.0 114.064 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 2.6 p -65.62 -0.06 1.87 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.597 1.559 . . . . 90.0 113.496 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.8 -3.28 30.84 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.778 1.231 . . . . 90.0 112.23 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 150.37 -24.38 1.09 Allowed Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.323 -0.941 . . . . 90.0 112.635 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -79.38 -58.97 2.95 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.286 -1.005 . . . . 90.0 108.286 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -101.17 91.51 4.56 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-O 121.97 0.89 . . . . 90.0 110.109 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -140.36 153.36 46.36 Favored 'General case' 0 C--N 1.269 -2.907 0 N-CA-C 105.402 -2.073 . . . . 90.0 105.402 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.1 m -65.99 147.0 54.04 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.082 0.468 . . . . 90.0 110.586 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -127.6 27.85 5.73 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.008 -1.108 . . . . 90.0 108.008 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 114.5 -1.227 . . . . 90.0 110.515 -171.609 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.717 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 C--O 1.24 0.589 0 N-CA-C 107.574 -1.269 . . . . 90.0 107.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.22 147.91 23.26 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.023 -0.732 . . . . 90.0 109.023 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.1 136.53 32.99 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 115.704 -0.68 . . . . 90.0 109.663 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.45 153.13 18.09 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.777 -1.194 . . . . 90.0 107.777 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.41 -34.93 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 112.958 0.725 . . . . 90.0 112.958 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 p 43.9 60.77 2.57 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.157 0.983 . . . . 90.0 112.838 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.0 mtm -94.02 93.25 7.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 115.932 -0.576 . . . . 90.0 111.363 -175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -79.83 -56.21 4.43 Favored 'General case' 0 N--CA 1.411 -2.413 0 N-CA-C 108.054 -1.091 . . . . 90.0 108.054 172.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 97' ' ' ALA . . . -175.27 156.76 22.91 Favored Glycine 0 N--CA 1.405 -3.41 0 N-CA-C 109.867 -1.293 . . . . 90.0 109.867 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.3 p -138.63 -39.93 0.51 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.289 0.566 . . . . 90.0 111.766 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 -104.12 44.66 1.01 Allowed 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.923 0.889 . . . . 10.0 111.112 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.607 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB2' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ALA . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.59 ' O ' HD21 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.472 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.0 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.722 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CD2' ' HB1' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.59 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.1 t-80 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.692 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' A' ' 88' ' ' VAL . 28.9 mm-40 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.692 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.63 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.554 ' CA ' HD13 ' A' ' 96' ' ' ILE . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.515 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.689 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.722 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.418 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 -52.0 -43.93 63.88 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.8 77.71 1.47 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 106.447 -1.686 . . . . 10.0 106.447 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -81.23 -26.12 36.13 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.226 -1.398 . . . . 90.0 107.226 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.8 p -168.42 153.58 6.49 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 105.373 -2.084 . . . . 90.0 105.373 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.8 p -87.77 157.07 19.13 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.2 -1.0 . . . . 90.0 109.348 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 114' ' ' ASP . 44.9 mt-10 -61.45 -45.18 95.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.456 -0.338 . . . . 90.0 110.703 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 65.7 -28.15 0.11 Allowed 'General case' 0 C--O 1.196 -1.756 0 N-CA-C 115.177 1.547 . . . . 90.0 115.177 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 112' ' ' GLU . 28.3 t70 -80.6 -38.02 30.12 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 118.054 0.388 . . . . 90.0 110.839 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.8 mmt -60.97 -48.46 81.73 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 116.171 -0.468 . . . . 90.0 110.116 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 66.64 -45.79 0.44 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.148 1.379 . . . . 90.0 114.381 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.3 m -58.11 -8.42 1.06 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.499 1.52 . . . . 90.0 113.837 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.26 -25.12 65.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.681 0.392 . . . . 90.0 110.588 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.276 -0.964 . . . . 90.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.68 -53.88 40.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.04 -0.726 . . . . 90.0 109.04 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.48 33.0 1.14 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 122.5 1.143 . . . . 90.0 110.219 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -123.53 137.1 54.84 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.658 -1.978 . . . . 90.0 105.658 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -76.48 132.11 39.41 Favored 'General case' 0 N--CA 1.409 -2.519 0 CA-C-O 121.303 0.573 . . . . 90.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.449 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -72.86 -7.74 52.27 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.238 -0.892 . . . . 90.0 109.496 173.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.378 -0.971 . . . . 90.0 108.378 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.558 H1'2 " O4'" ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD23 ' H2 ' ' A' ' 5' ' ' LEU . 3.8 mm? . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.131 0.491 . . . . 90.0 110.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.73 149.46 40.52 Favored 'General case' 0 N--CA 1.402 -2.85 0 N-CA-C 105.113 -2.18 . . . . 90.0 105.113 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 135.67 56.39 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 123.949 0.781 . . . . 90.0 109.418 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 120.98 14.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.488 -0.56 . . . . 90.0 109.488 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.72 6.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.539 1.311 . . . . 90.0 114.539 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 p 69.43 139.26 0.04 OUTLIER 'General case' 0 C--O 1.241 0.637 0 C-N-CA 126.638 1.975 . . . . 90.0 114.554 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.13 70.64 6.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.6 -0.889 . . . . 90.0 108.6 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -114.38 80.25 1.37 Allowed 'General case' 0 N--CA 1.415 -2.175 0 CA-C-O 122.131 0.967 . . . . 90.0 111.374 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.58 154.29 21.68 Favored Glycine 0 N--CA 1.421 -2.365 0 N-CA-C 108.517 -1.833 . . . . 90.0 108.517 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -117.8 -43.05 2.8 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 113.402 0.89 . . . . 90.0 113.402 -175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -109.01 48.65 0.85 Allowed 'General case' 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 -169.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.731 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 26' ' ' ALA . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.636 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.636 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 27.2 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 6.2 m-20 -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.604 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.731 HD12 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.514 HE21 ' H6 ' ' A' 1126 ' ' FAD . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.3 t-80 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.54 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 HG21 ' CE1' ' A' ' 85' ' ' HIS . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' NE2' HG12 ' A' ' 88' ' ' VAL . 30.4 mm-40 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 83' ' ' ARG . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.731 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.526 ' HA ' HD13 ' A' ' 96' ' ' ILE . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.731 ' SD ' HD12 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 -84.73 -53.75 5.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD11 ' O ' ' A' ' 108' ' ' LEU . 1.6 pp -131.83 121.92 24.89 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 120.401 -0.52 . . . . 10.0 112.167 -177.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 111' ' ' SER . 11.2 p -86.13 -69.62 0.65 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.699 0.285 . . . . 90.0 110.411 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.3 p -78.38 19.97 0.44 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.551 0.74 . . . . 90.0 112.218 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 109' ' ' SER . 20.3 m 67.77 -78.17 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.925 1.29 . . . . 90.0 109.627 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.8 142.85 10.89 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.791 -0.818 . . . . 90.0 108.791 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.4 37.63 2.06 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 104.299 -2.482 . . . . 90.0 104.299 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.97 -60.88 1.69 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.075 -1.875 . . . . 90.0 111.184 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.44 ' C ' ' H ' ' A' ' 117' ' ' SER . 97.0 mmm -76.48 -44.63 34.57 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.893 -0.78 . . . . 90.0 108.893 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 66.6 -25.2 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.399 1.48 . . . . 90.0 114.403 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 115' ' ' MET . 12.0 t -81.55 17.99 1.29 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.405 0.682 . . . . 90.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -100.8 15.37 28.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.485 0.714 . . . . 90.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 119.85 5.72 10.7 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.58 -0.819 . . . . 90.0 113.032 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 32.2 tp -94.9 -49.98 5.33 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.587 0.708 . . . . 90.0 109.357 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.59 87.55 4.76 Favored 'General case' 0 N--CA 1.417 -2.094 0 CA-C-N 115.623 -0.717 . . . . 90.0 109.733 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.9 -63.65 1.02 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.975 -1.011 . . . . 90.0 111.154 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.0 t 69.17 144.21 0.05 OUTLIER 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.069 0.947 . . . . 90.0 112.295 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.91 121.94 7.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.377 -0.601 . . . . 90.0 109.377 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.283 -2.283 0 CA-C-N 115.251 -0.886 . . . . 90.0 110.128 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.787 " O5'" H51A ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 106.471 -1.678 . . . . 90.0 106.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.13 151.71 22.52 Favored 'General case' 0 N--CA 1.422 -1.847 0 C-N-CA 120.114 -0.634 . . . . 90.0 109.549 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.55 131.86 34.24 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.507 -0.923 . . . . 90.0 108.507 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.39 144.39 32.72 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.525 -1.287 . . . . 90.0 107.525 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -53.87 -40.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 123.577 0.548 . . . . 90.0 112.428 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.4 p 50.99 171.11 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.762 1.625 . . . . 90.0 115.056 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -99.97 88.33 3.73 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 107.202 -1.407 . . . . 90.0 107.202 171.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -73.84 -47.18 40.27 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.232 -0.894 . . . . 90.0 111.597 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.52 101.93 2.75 Favored Glycine 0 N--CA 1.42 -2.41 0 C-N-CA 120.83 -0.7 . . . . 90.0 112.536 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 m -112.62 -74.43 0.63 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 120.294 -0.563 . . . . 90.0 111.954 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 -116.75 48.08 1.35 Allowed 'General case' 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 -168.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.731 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.54 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 1.7 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 31.9 t-80 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.546 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 82' ' ' ASP . 28.9 mm-40 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.652 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.652 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.452 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.731 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.43 ' HA ' HG23 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.526 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.532 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -63.54 -66.25 0.57 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.91 84.83 7.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 m -76.01 -25.03 55.33 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.051 0.453 . . . . 90.0 111.641 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 29.8 t -142.87 39.85 1.5 Allowed 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 107.043 -1.466 . . . . 90.0 107.043 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t 69.02 -168.93 0.18 Allowed 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.11 -1.405 . . . . 90.0 107.216 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.61 -53.75 5.7 Favored 'General case' 0 N--CA 1.414 -2.23 0 C-N-CA 119.273 -0.971 . . . . 90.0 109.079 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.7 26.25 5.74 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.89 1.276 . . . . 90.0 111.594 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.94 -51.09 2.47 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.019 0.438 . . . . 90.0 110.577 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.9 ptm -106.04 -39.78 5.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.817 -0.629 . . . . 90.0 110.388 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HG3' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 65.92 -39.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.101 1.36 . . . . 90.0 113.577 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 16.0 m -53.37 -6.92 0.08 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.256 1.822 . . . . 90.0 115.471 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -82.48 -7.45 59.64 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 112.539 0.57 . . . . 90.0 112.539 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 172.43 -34.09 0.13 Allowed Glycine 0 CA--C 1.504 -0.63 0 C-N-CA 120.389 -0.91 . . . . 90.0 112.139 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.462 HD23 ' HG3' ' A' ' 116' ' ' ARG . 7.4 mp -72.18 -53.67 11.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.685 0.755 . . . . 90.0 109.852 178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -104.69 86.75 2.54 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 115.561 -0.745 . . . . 90.0 110.652 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.39 159.78 36.97 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 103.336 -2.839 . . . . 90.0 103.336 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -76.66 103.15 6.48 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 118.378 0.536 . . . . 90.0 110.587 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.55 16.39 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.781 -0.368 . . . . 90.0 111.783 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.942 0 N-CA-C 113.579 0.955 . . . . 90.0 113.579 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.612 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 109.386 -0.598 . . . . 90.0 109.386 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.63 152.86 42.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.267 0.556 . . . . 90.0 111.968 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.32 129.69 34.93 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 115.154 -0.93 . . . . 90.0 108.764 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.27 138.54 49.48 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.407 -0.815 . . . . 90.0 109.677 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.32 -23.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 113.508 0.929 . . . . 90.0 113.508 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.7 p 54.28 71.33 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.801 1.24 . . . . 90.0 113.548 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.7 mtm -86.94 -41.59 13.83 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 114.773 -1.103 . . . . 90.0 108.674 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -106.21 -177.12 3.27 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 114.309 -1.314 . . . . 90.0 111.018 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.03 -128.77 1.01 Allowed Glycine 0 N--CA 1.42 -2.381 0 N-CA-C 109.585 -1.406 . . . . 90.0 109.585 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -160.52 -34.35 0.05 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.907 0.384 . . . . 90.0 111.32 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 -103.35 42.53 1.16 Allowed 'General case' 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 -169.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.65 ' O ' HD21 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.2 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.499 ' NE2' ' HE1' ' A' ' 104' ' ' TRP . 10.3 tm0? -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.2 t-80 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.543 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.706 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG23 HE21 ' A' ' 80' ' ' GLN . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.492 ' NE2' HG12 ' A' ' 88' ' ' VAL . 32.3 mm-40 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.706 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 26' ' ' ALA 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.451 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.502 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.409 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.442 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.485 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.06 -29.38 66.39 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 tp -94.15 20.64 7.76 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.401 0.62 . . . . 10.0 110.524 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.2 p -69.26 -39.31 78.51 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.76 0.79 . . . . 90.0 109.508 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.79 -170.34 1.92 Allowed 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 114.322 -1.308 . . . . 90.0 109.658 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 t -142.63 -48.55 0.34 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.102 -1.444 . . . . 90.0 107.102 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 49.96 77.07 0.12 Allowed 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.1 1.76 . . . . 90.0 113.89 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.58 -13.75 61.47 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.005 -0.998 . . . . 90.0 110.039 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.06 -40.16 87.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.912 -1.04 . . . . 90.0 109.11 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.499 ' C ' ' H ' ' A' ' 117' ' ' SER . 64.1 mtt -91.4 -59.79 2.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.425 -0.807 . . . . 90.0 112.081 -174.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 69.22 -20.64 0.16 Allowed 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 125.096 1.358 . . . . 90.0 111.816 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 115' ' ' MET . 32.9 t -85.42 18.45 2.71 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.631 1.573 . . . . 90.0 111.422 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.38 -51.94 8.73 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.73 39.66 0.06 OUTLIER Glycine 0 N--CA 1.429 -1.828 0 N-CA-C 108.794 -1.722 . . . . 90.0 108.794 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -113.85 -74.16 0.63 Allowed 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.497 -0.351 . . . . 90.0 110.605 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.6 80.85 0.06 Allowed 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.528 1.142 . . . . 90.0 111.159 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -154.63 122.62 5.9 Favored 'General case' 0 N--CA 1.421 -1.883 0 CA-C-N 114.656 -1.157 . . . . 90.0 109.515 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.3 p -156.39 121.41 4.67 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.102 -1.073 . . . . 90.0 108.102 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 136.17 15.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 120.351 -0.54 . . . . 90.0 111.253 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.288 -2.092 0 CA-C-N 114.462 -1.245 . . . . 90.0 111.48 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.641 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.497 -1.073 0 N-CA-C 109.743 -0.466 . . . . 90.0 109.743 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.36 154.93 38.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.615 0.766 . . . . 90.0 111.237 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 135.72 57.6 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.194 -1.039 . . . . 90.0 108.194 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.17 -74.17 0.2 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.747 -0.464 . . . . 90.0 109.747 -174.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.7 m -138.37 1.55 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.227 0 C-N-CA 123.11 0.564 . . . . 90.0 111.465 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p 56.9 -99.58 0.1 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 123.929 0.892 . . . . 90.0 111.159 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 84.0 mtp -122.5 -68.08 0.91 Allowed 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 108.309 -0.997 . . . . 90.0 108.309 170.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p 42.9 -94.49 0.02 OUTLIER 'General case' 0 C--O 1.242 0.704 0 N-CA-C 115.361 1.615 . . . . 90.0 115.361 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.39 164.44 30.47 Favored Glycine 0 N--CA 1.416 -2.642 0 N-CA-C 108.881 -1.688 . . . . 90.0 108.881 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m -145.13 -157.08 0.76 Allowed 'General case' 0 N--CA 1.398 -3.051 0 N-CA-C 106.532 -1.655 . . . . 90.0 106.532 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 -93.82 42.38 1.1 Allowed 'General case' 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.711 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 84' ' ' ARG . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' ALA . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.641 ' O ' HD21 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 10.4 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.663 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.418 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.566 HE22 ' H6 ' ' A' 1126 ' ' FAD . 36.4 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.663 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 29.8 t-80 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 26.2 mm-40 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.516 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' HM81 ' A' 1126 ' ' FAD . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 38.0 m-80 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.61 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.711 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.452 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 103' ' ' GLY . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -50.54 -33.93 23.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.0 tp -50.66 -40.92 54.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.674 0.79 . . . . 10.0 110.58 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.0 p 45.13 -91.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.166 1.543 . . . . 90.0 115.166 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.6 p -124.32 7.5 8.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.866 0.467 . . . . 90.0 111.568 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.253 52.3 p 60.76 129.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.997 1.719 . . . . 90.0 114.12 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.22 12.29 6.82 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 114.747 1.388 . . . . 90.0 114.747 -172.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.53 -14.82 61.74 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.105 -0.702 . . . . 90.0 109.105 174.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.49 -41.48 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.751 -1.113 . . . . 90.0 111.305 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ptm -71.18 -21.88 62.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 119.931 -0.708 . . . . 90.0 110.264 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 69.13 -58.81 0.49 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.688 1.595 . . . . 90.0 113.134 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 31.1 t -62.69 -2.37 1.11 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.326 1.85 . . . . 90.0 115.38 -171.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 119' ' ' GLY . 1.1 pp -76.21 -22.64 55.02 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 118.612 -1.235 . . . . 90.0 113.153 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.405 ' N ' HD11 ' A' ' 118' ' ' LEU . . . -178.26 -30.48 0.05 OUTLIER Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.661 -1.257 . . . . 90.0 112.707 -175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.68 -48.93 52.25 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.917 -1.142 . . . . 90.0 107.917 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 117' ' ' SER . . . -93.15 88.93 6.25 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.745 -1.576 . . . . 90.0 106.745 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -133.4 149.28 51.82 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 114.173 -1.376 . . . . 90.0 108.372 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 p -79.98 94.19 5.86 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 109.246 -0.649 . . . . 90.0 109.246 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -94.6 -9.98 33.4 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.843 -0.617 . . . . 90.0 109.827 -179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 . . . . . 0 C--O 1.248 0.993 0 C-N-CA 125.751 1.62 . . . . 90.0 113.645 -179.56 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.566 ' H6 ' HE22 ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 107.98 -1.118 . . . . 90.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.5 155.57 39.66 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.149 0.5 . . . . 90.0 111.173 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 136.94 54.15 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.013 -0.994 . . . . 90.0 110.76 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.56 146.92 29.89 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.304 -0.862 . . . . 90.0 109.279 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -60.18 -26.41 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 N-CA-C 113.722 1.008 . . . . 90.0 113.722 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 p 61.02 169.11 0.1 Allowed 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.222 1.809 . . . . 90.0 113.421 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -141.93 122.05 13.8 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.976 -1.12 . . . . 90.0 107.976 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -113.63 165.67 12.29 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.053 -0.521 . . . . 90.0 111.215 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 107.33 0.52 Allowed Glycine 0 N--CA 1.414 -2.78 0 N-CA-C 109.837 -1.305 . . . . 90.0 109.837 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -90.51 -36.27 14.6 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.464 0.65 . . . . 90.0 111.769 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 -120.29 53.32 1.09 Allowed 'General case' 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -172.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.749 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.614 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.655 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.655 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.8 t-80 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.524 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.462 HG23 HE21 ' A' ' 80' ' ' GLN . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.514 ' NE2' HG12 ' A' ' 88' ' ' VAL . 25.0 mm-40 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.614 ' HD3' ' OD1' ' A' ' 33' ' ' ASP . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.435 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.749 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 98' ' ' LYS . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.46 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.516 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -71.5 -31.18 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.13 86.22 2.98 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.393 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.4 t -104.94 -7.17 19.49 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.5 -1.296 . . . . 90.0 107.5 174.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -173.0 142.48 1.07 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 105.55 -2.019 . . . . 90.0 105.55 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 m -61.77 -55.98 24.35 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.155 -1.424 . . . . 90.0 107.155 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.07 -44.69 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 127.726 2.41 . . . . 90.0 107.256 174.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.92 28.03 6.14 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.667 1.587 . . . . 90.0 112.634 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.69 -39.12 0.89 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.673 0.749 . . . . 90.0 110.424 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.8 ttm -97.3 -38.09 9.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.334 -0.988 . . . . 90.0 108.334 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.93 -1.79 1.63 Allowed 'General case' 0 C--O 1.25 1.112 0 C-N-CA 125.331 1.453 . . . . 90.0 113.857 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.5 m -71.85 -3.15 20.68 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.778 0.831 . . . . 90.0 113.201 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -73.78 -20.18 60.56 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.312 -0.625 . . . . 90.0 109.312 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.98 37.02 0.41 Allowed Glycine 0 N--CA 1.426 -2.025 0 CA-C-N 115.57 -0.741 . . . . 90.0 112.295 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 24.9 tp -105.68 -42.73 5.1 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.619 -0.882 . . . . 90.0 108.619 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.15 86.11 6.45 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.574 0.702 . . . . 90.0 109.434 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -121.11 153.26 37.7 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.445 -1.317 . . . . 90.0 107.445 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -76.75 90.1 3.42 Favored 'General case' 0 N--CA 1.421 -1.879 0 N-CA-C 105.558 -2.016 . . . . 90.0 105.558 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -65.55 -26.62 67.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.425 -1.261 . . . . 90.0 114.047 -173.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.309 -1.174 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.585 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.465 ' H6 ' ' HG3' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.493 -1.223 0 N-CA-C 108.758 -0.83 . . . . 90.0 108.758 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -69.41 147.56 50.83 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 109.47 -0.567 . . . . 90.0 109.47 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 137.9 47.43 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.413 -0.812 . . . . 90.0 110.251 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -90.53 151.37 21.37 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.128 -1.434 . . . . 90.0 107.128 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.56 -38.44 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 112.92 0.711 . . . . 90.0 112.92 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.5 p 50.86 -174.9 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.278 1.431 . . . . 90.0 113.98 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 3.1 mpp? -82.68 82.37 8.07 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 108.84 -0.8 . . . . 90.0 108.84 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -105.2 -83.83 0.5 Allowed 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 114.991 -1.004 . . . . 90.0 111.111 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 123.69 1.12 Allowed Glycine 0 N--CA 1.425 -2.038 0 N-CA-C 108.033 -2.027 . . . . 90.0 108.033 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -148.65 -166.25 2.5 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 106.695 -1.594 . . . . 90.0 106.695 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 -105.19 46.92 0.89 Allowed 'General case' 0 C--N 1.274 -2.681 0 C-N-CA 124.838 1.255 . . . . 10.0 111.147 -174.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' O ' HD21 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 11.2 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.514 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 59' ' ' GLY . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 57' ' ' SER . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.514 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.0 t-80 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.627 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.525 ' NE2' HD13 ' A' ' 90' ' ' ILE . 28.7 mm-40 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.588 ' NE2' ' HB ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.41 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.588 ' HB ' ' NE2' ' A' ' 85' ' ' HIS 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.68 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 98' ' ' LYS . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HA ' HD13 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.585 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -66.41 -70.19 0.26 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -96.93 -21.89 17.19 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -176.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 m 66.95 -60.67 0.35 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 90.0 112.115 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 53.1 t -138.86 -53.89 0.59 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.294 -1.373 . . . . 90.0 107.294 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.7 p -173.85 179.73 1.93 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.279 -1.378 . . . . 90.0 107.279 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.41 -38.7 5.15 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.749 0.309 . . . . 90.0 110.307 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.69 19.34 11.67 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.629 1.171 . . . . 90.0 112.085 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -124.9 -28.68 3.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.147 0.499 . . . . 90.0 111.367 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 117' ' ' SER . 23.8 mmt -97.88 -51.18 4.15 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.022 -1.473 . . . . 90.0 107.022 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.95 -14.05 0.47 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.569 1.548 . . . . 90.0 112.595 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 115' ' ' MET . 14.0 m -68.38 -8.47 40.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.073 1.349 . . . . 90.0 113.031 -176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.65 -60.12 2.51 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.056 0.455 . . . . 90.0 109.903 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.57 48.41 0.18 Allowed Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 110.603 -0.999 . . . . 90.0 110.603 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -124.8 -48.74 1.76 Allowed 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 120.793 0.33 . . . . 90.0 111.074 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.74 70.56 10.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 122.196 0.998 . . . . 90.0 111.709 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -98.8 141.47 31.55 Favored 'General case' 1 N--CA 1.369 -4.476 0 N-CA-C 105.633 -1.988 . . . . 90.0 105.633 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 t -82.02 122.4 27.76 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.528 -0.916 . . . . 90.0 108.528 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.453 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -70.94 -20.18 62.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.977 0.732 . . . . 90.0 112.977 -177.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.244 0.796 0 O-C-N 123.97 0.794 . . . . 90.0 112.093 177.61 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.421 ' N10' HG12 ' A' ' 79' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.497 -1.065 0 N-CA-C 107.391 -1.337 . . . . 90.0 107.391 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -73.18 155.4 39.65 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 123.705 0.628 . . . . 90.0 110.491 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.58 146.5 40.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.751 -0.658 . . . . 90.0 111.671 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.33 148.58 45.2 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.841 -0.8 . . . . 90.0 108.841 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -58.58 -29.44 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 112.827 0.677 . . . . 90.0 112.827 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p 58.06 179.91 0.06 Allowed 'General case' 0 C--O 1.248 0.989 0 C-N-CA 125.815 1.646 . . . . 90.0 114.424 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -77.76 -24.21 49.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.692 -0.484 . . . . 90.0 109.692 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 p 57.51 95.97 0.02 OUTLIER 'General case' 0 C--O 1.245 0.852 0 C-N-CA 125.158 1.383 . . . . 90.0 114.003 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.58 64.64 3.24 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.048 -1.621 . . . . 90.0 109.048 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 -81.03 0.2 Allowed 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.937 -0.631 . . . . 90.0 111.657 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -149.38 63.86 1.02 Allowed 'General case' 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 -175.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.612 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.718 ' CE1' HG21 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.658 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.708 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.67 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.698 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.602 ' OE1' ' H6 ' ' A' 1126 ' ' FAD . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.698 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.5 t-80 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD11 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.674 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.445 ' C ' ' H ' ' A' ' 82' ' ' ASP . 28.8 mm-40 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.671 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 29' ' ' LEU . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.671 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.635 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.543 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.708 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.67 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -29.56 69.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -102.38 77.71 1.67 Allowed 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 107.349 -1.352 . . . . 10.0 107.349 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 p -113.53 4.1 16.03 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.493 -1.299 . . . . 90.0 107.493 173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 64.8 m -137.32 122.49 19.21 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 113.622 -1.626 . . . . 90.0 106.77 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 m -80.18 175.94 10.2 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.694 -0.484 . . . . 90.0 109.694 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -99.18 -147.49 0.34 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.915 -0.772 . . . . 90.0 108.915 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 72.93 -0.08 3.49 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.847 1.259 . . . . 90.0 112.146 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -103.36 -39.43 6.8 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.651 -0.87 . . . . 90.0 108.651 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.588 ' SD ' HD12 ' A' ' 118' ' ' LEU . 66.7 mtt -81.08 -47.27 13.76 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 116.061 -0.518 . . . . 90.0 111.404 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -63.89 0.27 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.334 0.864 . . . . 90.0 113.334 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.1 t -70.3 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 126.078 1.751 . . . . 90.0 113.689 -169.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.588 HD12 ' SD ' ' A' ' 115' ' ' MET . 91.4 mt -96.19 -14.15 22.96 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.445 -0.946 . . . . 90.0 108.445 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.48 20.74 6.07 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 109.561 -1.416 . . . . 90.0 109.561 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.0 tp -79.29 -45.13 20.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.258 -1.386 . . . . 90.0 107.258 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -91.09 98.43 11.75 Favored 'General case' 0 N--CA 1.396 -3.151 0 CA-C-N 114.216 -1.356 . . . . 90.0 107.571 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -40.32 115.29 0.54 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.581 -1.645 . . . . 90.0 111.756 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -98.89 117.99 34.63 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.766 -0.652 . . . . 90.0 109.333 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 133.41 19.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.324 0.583 . . . . 90.0 109.987 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 C--N 1.278 -2.519 0 CA-C-N 114.677 -1.147 . . . . 90.0 112.255 178.52 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.602 ' H6 ' ' OE1' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 106.591 -1.633 . . . . 90.0 106.591 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -95.29 154.57 17.12 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 109.979 -0.378 . . . . 90.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.53 142.01 46.71 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.746 -0.661 . . . . 90.0 109.47 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -67.45 0.4 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 123.69 0.619 . . . . 90.0 111.355 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.65 11.99 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 CA-C-O 121.21 0.529 . . . . 90.0 109.867 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.9 p 70.89 176.68 0.28 Allowed 'General case' 0 C--O 1.252 1.184 0 C-N-CA 126.776 2.03 . . . . 90.0 111.641 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.8 mtp -68.73 167.83 14.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.724 0.297 . . . . 90.0 111.333 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 61.6 p 73.67 -5.72 1.94 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.794 1.638 . . . . 90.0 114.236 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.77 -89.72 1.06 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.414 -0.422 . . . . 90.0 112.993 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 p -156.07 -67.66 0.11 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 120.803 0.335 . . . . 90.0 111.076 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.608 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 -176.01 87.15 0.03 OUTLIER 'General case' 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.589 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.678 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.676 ' O ' HD21 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HA ' HD11 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' ASP . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 42' ' ' GLN . 9.9 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' H62A ' A' 1126 ' ' FAD . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 106' ' ' MET . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.589 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.608 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.634 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.634 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.678 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HA ' HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' A' ' 103' ' ' GLY . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 -78.49 -42.8 28.65 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.65 71.11 2.6 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.14 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -76.08 -46.75 27.51 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.907 0.86 . . . . 90.0 108.874 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.6 p -118.63 -8.55 10.39 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.464 -1.244 . . . . 90.0 109.292 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.9 p 56.78 179.99 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.584 1.554 . . . . 90.0 112.629 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -119.03 23.51 11.34 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.167 0.508 . . . . 90.0 109.796 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.82 -38.05 67.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.579 -0.737 . . . . 90.0 109.907 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.9 -22.34 59.74 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.906 -1.043 . . . . 90.0 110.559 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 85.7 mtp -78.64 -19.06 53.46 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.275 -1.009 . . . . 90.0 108.275 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . 0.389 0.0 OUTLIER 50.46 24.94 1.74 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.163 1.785 . . . . 90.0 114.421 -175.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -74.93 -9.88 58.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.215 -0.902 . . . . 90.0 109.615 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.1 mt -86.35 -6.37 58.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.922 -1.035 . . . . 90.0 110.453 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.58 57.8 2.14 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.427 -1.069 . . . . 90.0 110.427 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.6 tp -86.56 -28.67 23.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.358 0.599 . . . . 90.0 109.808 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.46 41.27 0.93 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.767 0.794 . . . . 90.0 111.269 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.29 137.23 36.57 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.995 -1.483 . . . . 90.0 106.995 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -123.53 167.58 13.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.225 0.536 . . . . 90.0 111.138 -173.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -113.42 16.19 18.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.704 -1.221 . . . . 90.0 107.704 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 114.171 -1.377 . . . . 90.0 112.871 -178.225 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.422 H62A ' HB2' ' A' ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--O 1.237 0.408 0 N-CA-C 107.683 -1.228 . . . . 90.0 107.683 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.03 151.0 45.04 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.317 -0.994 . . . . 90.0 108.317 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.05 131.38 47.32 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 124.381 1.051 . . . . 90.0 111.687 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.49 -142.95 0.12 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.679 -1.6 . . . . 90.0 106.679 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.1 m -68.2 -5.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.668 -0.645 . . . . 90.0 112.578 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p 60.11 -168.97 0.15 Allowed 'General case' 0 C--O 1.244 0.805 0 C-N-CA 125.934 1.694 . . . . 90.0 111.636 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mtt -76.18 104.13 6.56 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.376 -0.972 . . . . 90.0 108.376 175.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -71.42 80.66 0.77 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 121.764 0.792 . . . . 90.0 112.187 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 97' ' ' ALA . . . -144.19 115.57 0.89 Allowed Glycine 0 N--CA 1.409 -3.141 0 CA-C-N 114.523 -1.217 . . . . 90.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 m -147.66 -33.17 0.27 Allowed 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 111.766 0.284 . . . . 90.0 111.766 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 -112.3 47.86 1.04 Allowed 'General case' 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.575 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.643 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HA ' ' OG ' ' A' ' 86' ' ' SER . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.593 ' O ' HD21 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 6.4 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.651 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.657 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.456 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.6 t-80 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 90' ' ' ILE . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 82' ' ' ASP . 24.9 mm-40 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.65 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.643 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.531 HD13 ' CA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HE3' ' HG ' ' A' ' 16' ' ' LEU . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -85.24 -33.7 22.14 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.06 9.15 1.02 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.12 1.155 . . . . 10.0 114.12 -173.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.9 p -84.03 -16.23 44.69 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.049 -1.093 . . . . 90.0 108.049 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.68 132.61 52.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 107.714 -1.217 . . . . 90.0 107.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 m -82.56 164.05 21.09 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.968 0.413 . . . . 90.0 109.91 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 30.99 4.23 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.9 -0.591 . . . . 90.0 109.805 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.98 -10.22 12.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.516 1.126 . . . . 90.0 114.022 -173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.0 -9.82 22.28 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.548 0.689 . . . . 90.0 110.46 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.9 mmt -103.44 -62.06 1.34 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.962 -0.755 . . . . 90.0 108.962 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 64.29 9.7 5.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.557 1.143 . . . . 90.0 112.754 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 p -86.03 -6.24 59.07 Favored 'General case' 0 N--CA 1.423 -1.796 0 C-N-CA 123.139 0.576 . . . . 90.0 112.216 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.6 mt -87.29 3.65 45.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.114 0.413 . . . . 90.0 112.114 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 149.61 -25.7 1.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.254 -1.451 . . . . 90.0 114.26 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.71 -51.36 59.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.185 0.517 . . . . 90.0 110.665 -177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . 0.25 . . 52.48 -97.64 0.06 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 115.293 1.59 . . . . 90.0 115.293 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.26 -58.38 8.73 Favored 'General case' 1 C--N 1.241 -4.128 0 CA-C-N 113.007 -1.906 . . . . 90.0 111.457 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 84.9 p -173.49 -173.04 0.84 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.458 -0.571 . . . . 90.0 109.458 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.55 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -113.7 10.41 17.93 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 108.369 -0.974 . . . . 90.0 108.369 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 C-N-CA 123.904 0.882 . . . . 90.0 109.119 -171.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.922 H51A ' N3A' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.1 147.54 28.04 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 109.74 -0.467 . . . . 90.0 109.74 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.85 133.16 41.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 123.679 0.612 . . . . 90.0 110.75 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.91 135.21 55.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.359 -0.837 . . . . 90.0 109.774 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.49 -13.16 15.76 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 114.482 1.29 . . . . 90.0 114.482 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p 61.02 179.92 0.11 Allowed 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.49 1.516 . . . . 90.0 113.311 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -74.78 121.3 21.55 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 109.181 -0.674 . . . . 90.0 109.181 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 p -85.85 -2.6 58.41 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 112.729 0.64 . . . . 90.0 112.729 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.34 99.19 0.19 Allowed Glycine 0 N--CA 1.421 -2.32 0 N-CA-C 111.366 -0.693 . . . . 90.0 111.366 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -133.75 -20.35 2.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.865 0.84 . . . . 90.0 111.069 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 -103.5 43.58 1.07 Allowed 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 125.561 1.544 . . . . 10.0 110.782 -173.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.616 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.401 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' ALA . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.634 ' O ' HD21 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HA ' HD11 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 84' ' ' ARG . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 12.4 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.0 t-80 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.489 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.605 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.699 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HB3' HD13 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.699 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.693 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.573 HD11 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 103' ' ' GLY . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.478 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.56 -52.84 63.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.3 mt -86.98 35.15 0.68 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -72.09 -33.33 67.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.075 -1.454 . . . . 90.0 107.075 170.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.8 t -107.29 107.92 19.08 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.725 -1.213 . . . . 90.0 107.725 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 p -81.08 168.29 18.79 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.271 -0.64 . . . . 90.0 109.271 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.277 0.0 OUTLIER -75.67 -50.22 16.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.405 0.891 . . . . 90.0 113.405 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.22 25.54 11.15 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.321 1.049 . . . . 90.0 111.294 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.21 -47.92 2.0 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.541 0.686 . . . . 90.0 110.518 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 45.0 mtt -79.83 -49.44 11.97 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 106.643 -1.614 . . . . 90.0 106.643 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 61.44 -17.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.846 1.795 . . . . 90.0 115.846 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.5 m -72.92 -4.62 33.17 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 123.544 0.737 . . . . 90.0 112.046 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.23 -27.2 66.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.051 0.453 . . . . 90.0 110.115 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.08 -33.54 0.03 OUTLIER Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.313 -0.946 . . . . 90.0 113.29 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.39 -49.84 57.24 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.298 0.57 . . . . 90.0 111.223 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.62 78.47 7.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 122.228 1.013 . . . . 90.0 112.699 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.62 -6.17 25.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 105.92 -1.882 . . . . 90.0 105.92 172.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 p -87.48 93.54 9.44 Favored 'General case' 0 N--CA 1.4 -2.955 0 CA-C-N 113.698 -1.592 . . . . 90.0 112.549 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -88.9 -12.63 41.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.166 -1.05 . . . . 90.0 108.166 171.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--O 1.255 1.357 0 CA-C-N 114.392 -1.276 . . . . 90.0 107.903 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.438 ' P ' HO4' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 HD23 ' H3 ' ' A' ' 5' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.569 -0.53 . . . . 90.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -126.81 164.17 21.96 Favored 'General case' 0 N--CA 1.416 -2.13 0 N-CA-C 108.776 -0.824 . . . . 90.0 108.776 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.7 136.18 17.8 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.255 0.972 . . . . 90.0 110.492 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.67 132.5 40.61 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 115.593 -0.73 . . . . 90.0 109.839 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.98 -17.33 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 114.011 1.115 . . . . 90.0 114.011 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.455 ' HB ' HG22 ' A' ' 12' ' ' THR . 62.1 p 58.72 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.323 1.449 . . . . 90.0 113.664 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.82 -32.32 73.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.527 -0.545 . . . . 90.0 109.527 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.455 HG22 ' HB ' ' A' ' 10' ' ' THR . 33.4 p 47.19 -95.36 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.069 1.507 . . . . 90.0 115.069 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.17 126.57 2.89 Favored Glycine 0 N--CA 1.406 -3.357 0 N-CA-C 108.411 -1.876 . . . . 90.0 108.411 -173.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -130.08 -52.82 1.12 Allowed 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.342 0.591 . . . . 90.0 111.95 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 -97.42 45.18 1.04 Allowed 'General case' 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 -172.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' SG ' ' HG2' ' A' ' 93' ' ' GLU . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD21 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' ALA . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.657 ' O ' HD21 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.738 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.8 t-80 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 28.7 mm-40 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.55 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.599 ' OD1' HD21 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.566 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' SG ' ' A' ' 19' ' ' CYS . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 103' ' ' GLY . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.574 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.626 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 107' ' ' GLN . 6.1 tp60 -67.42 -56.39 9.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.09 75.32 5.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 106.642 -1.614 . . . . 10.0 106.642 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -98.91 -17.34 18.42 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.957 -1.497 . . . . 90.0 106.957 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.1 m -151.38 152.05 32.58 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 105.933 -1.877 . . . . 90.0 105.933 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.3 m -76.8 166.13 23.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.388 -0.597 . . . . 90.0 109.388 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.516 ' CD ' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.6 96.44 1.2 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.937 0.875 . . . . 90.0 112.373 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.26 -35.5 17.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.642 -0.708 . . . . 90.0 111.421 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.4 -29.96 16.78 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.571 -0.741 . . . . 90.0 111.133 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.464 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 42.8 mtt -73.2 -54.93 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.409 -1.701 . . . . 90.0 106.409 176.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 53.91 32.3 14.97 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.125 1.77 . . . . 90.0 112.538 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.5 p -102.97 -2.63 27.33 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-N 114.407 -1.27 . . . . 90.0 111.654 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.516 ' HG ' ' CD ' ' A' ' 112' ' ' GLU . 4.6 pp -135.72 -33.78 0.85 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.323 -0.551 . . . . 90.0 112.107 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.1 -33.8 59.05 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 109.786 -1.325 . . . . 90.0 109.786 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.39 -37.17 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.228 -0.486 . . . . 90.0 111.758 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.74 84.31 4.97 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.369 0.604 . . . . 90.0 110.533 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -154.95 95.08 1.71 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.055 -0.975 . . . . 90.0 108.613 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -143.1 157.65 44.33 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 106.782 -1.562 . . . . 90.0 106.782 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -104.16 -1.15 27.65 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.129 -0.693 . . . . 90.0 109.129 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.323 -0.853 . . . . 90.0 110.577 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.431 HM72 ' CZ ' ' A' ' 61' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 120.632 0.253 . . . . 90.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -119.26 153.62 34.74 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 107.103 -1.443 . . . . 90.0 107.103 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.09 150.13 37.32 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 123.515 0.51 . . . . 90.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.68 154.8 40.54 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.644 -0.707 . . . . 90.0 109.438 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -70.67 -18.49 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 N-CA-C 113.243 0.831 . . . . 90.0 113.243 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.8 p 54.17 75.84 0.26 Allowed 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 124.891 1.276 . . . . 90.0 111.317 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 127.78 34.13 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.346 -0.983 . . . . 90.0 108.346 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -82.34 -15.35 53.16 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 115.115 -0.948 . . . . 90.0 112.04 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 97' ' ' ALA . . . 61.7 94.0 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 O-C-N 124.184 0.928 . . . . 90.0 112.644 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 -43.17 8.63 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-O 121.09 0.471 . . . . 90.0 111.931 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 -102.03 43.46 1.07 Allowed 'General case' 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -172.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.734 ' CD1' HG21 ' A' ' 88' ' ' VAL . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.592 ' O ' HD22 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.607 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.504 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.593 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' ASP . 32.9 t-80 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' O ' ' HD2' ' A' ' 78' ' ' HIS . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 76' ' ' MET . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 21.7 m-70 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 79' ' ' ILE . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 88' ' ' VAL . 25.2 mm-40 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.518 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HB2' ' CD2' ' A' ' 29' ' ' LEU 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.609 ' CG ' HM81 ' A' 1126 ' ' FAD . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' H ' ' HB ' ' A' ' 90' ' ' ILE . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.537 HD13 ' CA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.607 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 19.0 m-70 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -110.44 96.92 6.5 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.08 121.5 11.68 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.864 -1.902 . . . . 10.0 105.864 173.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m 66.17 174.03 0.23 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 124.468 1.105 . . . . 90.0 112.03 -175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.6 t -76.2 143.84 40.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.342 -1.355 . . . . 90.0 107.342 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 m -61.09 -38.67 87.09 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.06 0.457 . . . . 90.0 110.704 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.53 -81.38 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 119.802 -0.759 . . . . 90.0 110.195 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.44 -2.29 0.49 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.686 1.194 . . . . 90.0 113.58 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.87 -34.53 77.99 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 122.96 0.504 . . . . 90.0 111.789 -172.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.78 -21.79 64.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.013 0.435 . . . . 90.0 110.881 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' A' ' 120' ' ' LEU 0.324 5.3 ptm180 55.26 -0.11 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.229 2.307 . . . . 90.0 117.229 176.557 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 p -65.77 -12.87 57.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.423 1.089 . . . . 90.0 111.318 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.74 -24.3 66.72 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.707 1.203 . . . . 90.0 111.335 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.93 -1.2 1.71 Allowed Glycine 0 C--N 1.321 -0.289 0 C-N-CA 120.603 -0.808 . . . . 90.0 112.231 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 33.6 tp -84.08 -22.86 31.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.92 -0.77 . . . . 90.0 108.92 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.42 87.15 6.63 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.538 -0.912 . . . . 90.0 108.538 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.66 110.81 7.29 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 115.215 -0.902 . . . . 90.0 111.218 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.4 m -73.42 133.58 43.77 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 108.122 -1.066 . . . . 90.0 108.122 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 127.1 30.08 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 121.951 0.882 . . . . 90.0 110.664 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.272 -2.771 0 CA-C-N 113.247 -1.797 . . . . 90.0 111.186 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.609 HM81 ' CG ' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 107.191 -1.411 . . . . 90.0 107.191 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.89 148.47 46.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.807 -0.812 . . . . 90.0 108.807 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.89 131.06 48.51 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.809 -0.632 . . . . 90.0 111.553 -174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -111.66 157.25 20.67 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 107.888 -1.153 . . . . 90.0 107.888 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.33 -36.13 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 112.473 0.546 . . . . 90.0 112.473 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 p 47.49 -136.19 0.92 Allowed 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.146 0.978 . . . . 90.0 112.165 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mtp -83.68 105.53 14.67 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.995 -1.113 . . . . 90.0 107.995 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 p -72.15 -71.63 0.27 Allowed 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 123.262 0.351 . . . . 90.0 111.506 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.9 54.48 36.53 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 110.426 -1.07 . . . . 90.0 110.426 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 m -104.51 -139.32 0.36 Allowed 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.175 0.512 . . . . 90.0 110.594 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -98.25 51.12 1.01 Allowed 'General case' 0 CA--C 1.472 -2.058 0 C-N-CA 124.889 1.276 . . . . 10.0 110.725 -173.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG21 ' A' ' 88' ' ' VAL . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 9.7 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.619 HD21 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CB ' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.538 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 24.7 t-80 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.564 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.659 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' OD2' ' HD2' ' A' ' 85' ' ' HIS 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.463 HH21 ' P ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CE1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.68 HG21 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.551 ' OE1' ' HA ' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.547 ' HA ' HD13 ' A' ' 96' ' ' ILE . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.559 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.6 m-70 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -70.32 -38.29 74.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' N ' ' SD ' ' A' ' 106' ' ' MET . 1.0 OUTLIER -99.54 83.42 2.79 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -165.63 98.83 0.68 Allowed 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.501 -1.666 . . . . 90.0 106.501 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t 72.24 -58.07 0.6 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.867 1.267 . . . . 90.0 108.571 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.4 m 57.41 -168.95 0.11 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 115.38 1.622 . . . . 90.0 115.38 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -91.01 166.31 13.07 Favored 'General case' 0 N--CA 1.417 -2.106 0 CA-C-N 114.766 -1.106 . . . . 90.0 111.462 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 116' ' ' ARG . . . -140.95 30.77 1.81 Allowed 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 103.178 -2.897 . . . . 90.0 103.178 168.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -101.8 -61.72 1.35 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.967 -2.378 . . . . 90.0 109.962 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.0 mmt -93.45 -59.94 1.89 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.553 -0.459 . . . . 90.0 111.581 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 113' ' ' ALA . 14.3 mmm180 65.74 -53.37 0.37 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.381 1.473 . . . . 90.0 113.258 -175.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.3 m -60.35 -4.07 0.78 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.088 1.144 . . . . 90.0 114.088 -177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.51 4.61 7.17 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.14 0.792 . . . . 90.0 113.14 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 123.73 -5.26 9.17 Favored Glycine 0 C--O 1.213 -1.16 0 C-N-CA 120.795 -0.717 . . . . 90.0 111.405 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.1 tp -100.56 10.55 41.03 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.915 -1.143 . . . . 90.0 107.915 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.34 87.04 2.0 Allowed 'General case' 0 N--CA 1.417 -2.109 0 CA-C-N 114.54 -1.209 . . . . 90.0 111.687 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -75.62 -35.34 60.53 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.024 -1.843 . . . . 90.0 106.024 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 p -59.26 116.04 3.63 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 114.429 -1.26 . . . . 90.0 110.126 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -88.4 -0.9 57.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.201 0.524 . . . . 90.0 110.846 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.252 1.205 0 N-CA-C 108.673 -0.862 . . . . 90.0 108.673 178.273 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1126 ' ' FAD . . . . . 0.463 ' P ' HH21 ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' HD3' ' A' ' 69' ' ' PRO . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 61' ' ' PHE . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 34' ' ' LEU . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 55.7 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' PHE . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.617 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 56' ' ' TYR . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.617 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.593 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.7 t60 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 17' ' ' VAL . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.539 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.528 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 66' ' ' GLU . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.593 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.517 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.651 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.775 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 84.8 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.523 ' CA ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.0 t60 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.734 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.775 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.512 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.523 ' HA ' ' CA ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.518 ' SD ' HD11 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 . . . . . 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 95' ' ' SER . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.746 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.455 HD21 ' CA ' ' A' ' 84' ' ' ARG . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 35.0 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 65' ' ' LEU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' A' ' 54' ' ' LEU . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.664 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 50' ' ' LEU . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.4 t60 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 76' ' ' MET . 10.1 mm100 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.527 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.695 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.746 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.645 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.559 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 96' ' ' ILE . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.794 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 61' ' ' PHE . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.661 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.614 ' HZ ' ' HG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.661 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.688 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.2 t60 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HD12 ' A' ' 79' ' ' ILE . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.49 ' HE1' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.794 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.63 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.688 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.523 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 . . . . . 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' HD13 ' A' ' 96' ' ' ILE . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.704 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 86' ' ' SER . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 46.3 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.443 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 72' ' ' VAL . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.8 t60 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 65' ' ' LEU . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.555 ' O ' ' HE1' ' A' ' 85' ' ' HIS . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.2 mm100 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 80' ' ' GLN 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.555 ' HE1' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 23' ' ' SER . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.717 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.589 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.615 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 121.92 0.866 . . . . 10.0 109.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 95' ' ' SER . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.615 ' OG ' HD13 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.79 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 106' ' ' MET . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 31.8 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HG2' ' CB ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.627 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.0 t60 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.414 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' CB ' HD21 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.721 HG21 HG23 ' A' ' 79' ' ' ILE 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.79 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 17' ' ' VAL . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.615 HD13 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 . . . . . 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 . . . . . 0 N--CA 1.419 -2.002 0 CA-C-O 121.893 0.854 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 95' ' ' SER . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.768 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.718 ' HG ' ' HB3' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' OG1' ' A' ' 30' ' ' THR . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.983 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' HH2' ' A' ' 104' ' ' TRP . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.521 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 63.6 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.72 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.5 t60 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 65' ' ' LEU . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.715 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.715 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.482 ' HB3' HD11 ' A' ' 37' ' ' ILE . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.768 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.714 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' VAL . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD12 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.594 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.503 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.682 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.72 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 . . . . . 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 95' ' ' SER . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.777 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.584 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 4.1 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.712 HD13 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.508 ' NE2' HD12 ' A' ' 54' ' ' LEU . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.9 t60 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 88' ' ' VAL . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 88' ' ' VAL . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.777 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 17' ' ' VAL . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.604 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.712 ' SD ' HD13 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 . . . . . 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.518 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.793 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.552 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 84' ' ' ARG . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 34' ' ' LEU . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 18.4 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.665 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 69.4 t60 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 HG21 ' A' ' 88' ' ' VAL . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.5 mm100 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.649 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.485 ' HB3' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.649 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.589 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.793 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.562 ' HA ' HG22 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.548 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.595 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 . . . . . 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.671 ' HB2' HD13 ' A' ' 96' ' ' ILE . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 34' ' ' LEU . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 63.6 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.4 ' HB3' ' NE2' ' A' ' 107' ' ' GLN . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 69.3 t60 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.714 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 88' ' ' VAL . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.9 mm100 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HA ' HD21 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.54 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.738 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.764 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 18' ' ' SER . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.553 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.486 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 56' ' ' TYR . 13.7 pt20 . . . . . 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 . . . . . 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 95' ' ' SER . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.751 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 73.0 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.471 ' O ' HG22 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' HD23 ' A' ' 54' ' ' LEU . 27.9 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' HG2' ' A' ' 98' ' ' LYS . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.624 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.8 t60 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.8 mm100 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 20.0 m120 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.624 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' HG3' ' HG ' ' A' ' 91' ' ' LEU . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.751 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' A' ' 89' ' ' GLU . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 17' ' ' VAL . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 . . . . . 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 95' ' ' SER . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.62 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.661 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.661 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 65' ' ' LEU . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 66.7 t60 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.554 HG23 HG21 ' A' ' 88' ' ' VAL . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HB3' HD21 ' A' ' 29' ' ' LEU . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.804 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' OG ' ' A' ' 18' ' ' SER . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.528 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 . . . . . 0 N--CA 1.411 -2.394 0 CA-C-O 122.166 0.984 . . . . 10.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 95' ' ' SER . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.678 ' HB2' HD13 ' A' ' 96' ' ' ILE . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.621 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 88' ' ' VAL . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 34' ' ' LEU . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 75.3 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.6 t60 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 82' ' ' ASP . 14.6 mm100 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 80' ' ' GLN . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.743 ' CE1' ' HB ' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.743 ' HB ' ' CE1' ' A' ' 85' ' ' HIS 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.703 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.431 ' HA ' HG22 ' A' ' 17' ' ' VAL . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 18' ' ' SER . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.534 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.577 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.818 ' CE1' HG23 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.657 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 65' ' ' LEU . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.709 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.707 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.5 t60 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.689 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG23 HG21 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' MET . 15.2 mm100 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' GLN 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 29' ' ' LEU . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.56 ' HE1' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.818 HG23 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.658 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.511 HD12 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' H ' ' CD ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.709 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.668 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.506 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' LEU . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 70.6 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 65' ' ' LEU . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.561 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 64.0 t60 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.649 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.2 mm100 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.462 ' CE1' HG11 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.659 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.629 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 . . . . . 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 . . . . . 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.655 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.678 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 55.5 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.678 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' HD13 ' A' ' 50' ' ' LEU . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.671 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 65.7 t60 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.716 HG22 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.499 ' CD ' HD11 ' A' ' 90' ' ' ILE . 12.3 mm100 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.643 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.716 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.655 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.663 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 . . . . . 0 CA--C 1.479 -1.776 0 CA-C-O 121.826 0.822 . . . . 10.0 110.782 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 95' ' ' SER . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.639 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.77 ' CD1' HG23 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 34' ' ' LEU . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 80.1 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 65' ' ' LEU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 HD23 ' A' ' 50' ' ' LEU . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.563 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 66.4 t60 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.621 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.0 mm100 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HB3' HD11 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.428 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.501 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.738 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 17' ' ' VAL . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.55 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.419 ' O ' ' HE1' ' A' ' 105' ' ' HIS . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.483 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.568 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 . . . . . 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 95' ' ' SER . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HD2' ' O ' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.744 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.744 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.693 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.527 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.0 t60 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG23 ' HE2' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HA ' HD22 ' A' ' 29' ' ' LEU . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HE2' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.561 ' OD1' HD23 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.754 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 17' ' ' VAL . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' OE1' ' HA ' ' A' ' 107' ' ' GLN . 6.1 tp60 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 . . . . . 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 95' ' ' SER . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.581 ' HB3' HD13 ' A' ' 96' ' ' ILE . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 8.0 tm0? -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.518 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 72' ' ' VAL . 71.0 t60 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 46.3 m80 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 88' ' ' VAL . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' HD2' ' OD2' ' A' ' 82' ' ' ASP 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.442 ' HA ' HG22 ' A' ' 17' ' ' VAL . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.583 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 34.5 m80 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.402 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER . . . . . 0 CA--C 1.472 -2.058 0 CA-C-O 122.255 1.026 . . . . 10.0 110.725 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 95' ' ' SER . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.676 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 67.1 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 65' ' ' LEU . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.539 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.9 t60 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.668 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.4 mm100 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.424 ' NE2' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 23' ' ' SER . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.691 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' OE1' ' HA ' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 17' ' ' VAL . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.651 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 72.9 m80 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.513 -0.453 0 N-CA-C 108.965 -0.754 . . . . 90.0 108.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -117.2 146.49 43.21 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 109.359 -0.608 . . . . 90.0 109.359 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.69 137.37 35.42 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.113 0.483 . . . . 90.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.11 154.28 28.17 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.53 -0.544 . . . . 90.0 109.53 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.73 -20.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 N-CA-C 113.17 0.804 . . . . 90.0 113.17 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p 62.31 -159.18 0.32 Allowed 'General case' 0 C--O 1.246 0.878 0 C-N-CA 124.977 1.311 . . . . 90.0 111.634 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -73.72 90.9 1.86 Allowed 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.276 0.489 . . . . 90.0 111.471 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -113.46 100.4 8.5 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.768 0.794 . . . . 90.0 110.986 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -166.84 89.8 0.1 OUTLIER Glycine 0 N--CA 1.412 -2.931 0 N-CA-C 109.503 -1.439 . . . . 90.0 109.503 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.4 m -82.12 -39.7 22.93 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 120.892 0.377 . . . . 90.0 111.197 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -122.55 58.05 1.08 Allowed 'General case' 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -172.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' HD3' ' A' ' 69' ' ' PRO . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 61' ' ' PHE . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HM83 ' A' 1126 ' ' FAD . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 55.7 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' PHE . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.617 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 56' ' ' TYR . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.617 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.593 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.7 t60 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 17' ' ' VAL . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.539 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 66' ' ' GLU . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.498 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.593 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.517 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -77.02 -42.97 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.29 120.88 20.45 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.788 0.804 . . . . 10.0 111.496 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -131.57 -159.41 0.96 Allowed 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.513 -1.662 . . . . 90.0 106.513 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 75.7 m -67.42 89.61 0.22 Allowed 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.702 -0.851 . . . . 90.0 108.702 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 m 71.39 169.47 0.32 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.106 1.763 . . . . 90.0 109.524 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.52 -30.96 8.34 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 116.06 -0.518 . . . . 90.0 110.959 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.89 116.44 0.06 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 126.802 2.041 . . . . 90.0 112.648 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 t70 75.64 -38.93 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.614 1.709 . . . . 90.0 115.614 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ptm -80.83 1.41 30.72 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.831 0.824 . . . . 90.0 111.046 -176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.84 -27.06 39.39 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.411 1.484 . . . . 90.0 113.123 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 p -69.95 -10.67 59.38 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.244 0.545 . . . . 90.0 111.238 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.67 9.27 43.68 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.959 -0.564 . . . . 90.0 111.655 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.73 -47.89 0.19 Allowed Glycine 0 C--O 1.238 0.4 0 C-N-CA 119.148 -1.501 . . . . 90.0 113.992 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.73 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.307 0.575 . . . . 90.0 110.407 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.17 77.88 1.71 Allowed 'General case' 0 N--CA 1.413 -2.286 0 CA-C-N 115.508 -0.769 . . . . 90.0 109.695 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.67 -51.21 29.25 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.405 -0.816 . . . . 90.0 111.097 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.4 m -143.59 168.6 19.49 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.619 -0.511 . . . . 90.0 109.619 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -99.54 -54.17 3.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.603 0.565 . . . . 90.0 110.787 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.362 -0.977 . . . . 90.0 108.362 -175.395 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.57 HM83 HD13 ' A' ' 37' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.237 0.421 0 N-CA-C 109.879 -0.415 . . . . 90.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.21 150.68 26.36 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 108.063 -1.088 . . . . 90.0 108.063 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.89 148.69 47.51 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 123.524 0.515 . . . . 90.0 110.458 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.86 138.4 38.91 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.225 -0.443 . . . . 90.0 111.298 -174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.84 5.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.145 1.165 . . . . 90.0 114.145 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' HG23 ' A' ' 12' ' ' THR . 36.2 p 70.65 -170.88 0.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.579 1.951 . . . . 90.0 111.835 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -83.89 13.83 4.57 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.059 -0.401 . . . . 90.0 111.883 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' OG1' ' A' ' 10' ' ' THR . 18.4 p -49.43 131.86 20.63 Favored 'General case' 0 C--O 1.252 1.193 0 N-CA-C 115.178 1.547 . . . . 90.0 115.178 -173.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.5 140.67 11.5 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 107.338 -2.305 . . . . 90.0 107.338 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -89.84 -62.74 1.4 Allowed 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 114.218 1.192 . . . . 90.0 114.218 -172.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 -112.84 53.12 0.76 Allowed 'General case' 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 -167.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.651 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.775 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 84.8 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.521 HD22 ' HB2' ' A' ' 104' ' ' TRP . 5.4 m-20 -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.523 ' CA ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.488 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.0 t60 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.734 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HG3' H5'1 ' A' 1126 ' ' FAD . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.775 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.512 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.523 ' HA ' ' CA ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.518 ' SD ' HD11 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -76.79 -37.8 55.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.52 -79.64 0.14 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.929 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 m 68.77 -40.92 0.45 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.313 1.445 . . . . 90.0 112.225 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.9 p -166.31 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 124.553 1.141 . . . . 90.0 109.227 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 p 54.08 62.67 2.49 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 122.298 1.047 . . . . 90.0 110.318 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 115' ' ' MET . 44.7 mt-10 66.72 -72.86 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.649 1.98 . . . . 90.0 111.296 -175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 69.19 14.67 8.66 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 126.156 1.782 . . . . 90.0 109.763 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -104.82 -70.16 0.78 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.433 -1.258 . . . . 90.0 109.697 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . 56.1 ttp -76.41 -51.79 11.15 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 107.947 -1.131 . . . . 90.0 107.947 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 69.8 -4.12 1.53 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.842 0.857 . . . . 90.0 113.288 173.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 m -70.45 3.69 2.84 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.211 1.004 . . . . 90.0 111.961 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.86 1.22 15.61 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.752 -0.658 . . . . 90.0 112.432 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.8 -27.6 2.68 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.504 -0.855 . . . . 90.0 112.442 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.18 -49.78 63.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.84 89.32 2.96 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 114.841 -1.072 . . . . 90.0 109.126 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -94.58 -32.36 13.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.2 m 68.83 104.59 0.05 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.736 -1.12 . . . . 90.0 112.752 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.667 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -52.62 -21.34 3.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.91 1.284 . . . . 90.0 112.598 175.062 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.425 -0.954 . . . . 90.0 108.425 176.841 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.522 H5'1 ' HG3' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 109.166 -0.679 . . . . 90.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -102.44 166.16 10.7 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.38 133.16 20.17 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 123.876 0.87 . . . . 90.0 111.884 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.6 166.88 12.28 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.032 -0.985 . . . . 90.0 108.607 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.4 m -60.7 -27.21 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 112.557 0.577 . . . . 90.0 112.557 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 p 57.48 -162.8 0.2 Allowed 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.719 1.208 . . . . 90.0 113.684 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.5 mtm -82.17 169.43 16.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 90.0 112.176 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.3 p 69.35 -15.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.044 2.138 . . . . 90.0 114.68 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 -98.41 0.44 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 108.999 -1.64 . . . . 90.0 108.999 -174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -177.89 -77.85 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 121.07 0.462 . . . . 90.0 110.99 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -114.87 49.48 1.04 Allowed 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 -169.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 95' ' ' SER . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.746 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD21 ' CA ' ' A' ' 84' ' ' ARG . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HA ' ' O4 ' ' A' 1126 ' ' FAD . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 35.0 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 65' ' ' LEU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' A' ' 54' ' ' LEU . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.664 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 50' ' ' LEU . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.4 t60 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 76' ' ' MET . 10.1 mm100 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.527 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.695 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.746 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.645 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.559 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -85.25 -28.39 25.4 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.9 tp -86.37 77.76 9.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 106.874 -1.528 . . . . 10.0 106.874 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.0 t -161.71 130.32 4.35 Favored 'General case' 0 N--CA 1.411 -2.389 0 N-CA-C 104.788 -2.301 . . . . 90.0 104.788 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 65.3 m 57.35 54.08 6.99 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.103 0.877 . . . . 90.0 110.782 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -79.99 80.52 6.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.989 -0.745 . . . . 90.0 108.989 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.417 1.2 pp20? 49.76 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.79 2.036 . . . . 90.0 113.391 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 51.64 21.24 1.27 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.478 1.511 . . . . 90.0 111.773 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -136.12 -35.85 0.76 Allowed 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.763 -0.653 . . . . 90.0 109.296 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 21.1 ttt -78.65 -34.58 46.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.574 -2.01 . . . . 90.0 105.574 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.7 mtm-85 72.01 23.12 3.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.381 1.873 . . . . 90.0 112.275 171.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -84.77 -18.93 33.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.241 -0.891 . . . . 90.0 110.49 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.37 4.72 1.6 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.459 0.911 . . . . 90.0 113.459 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 112.77 1.3 25.76 Favored Glycine 0 C--N 1.302 -1.311 0 C-N-CA 120.244 -0.979 . . . . 90.0 112.4 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.411 HD13 ' HG2' ' A' ' 116' ' ' ARG . 5.3 tt -70.1 -53.17 18.56 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.245 -1.391 . . . . 90.0 107.245 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.1 87.92 4.34 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 107.637 -1.246 . . . . 90.0 107.637 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -149.53 -173.62 4.45 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 103.819 -2.66 . . . . 90.0 103.819 -177.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.456 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 17.3 p -110.2 164.2 12.88 Favored 'General case' 0 C--N 1.275 -2.671 0 N-CA-C 109.804 -0.443 . . . . 90.0 109.804 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.12 130.44 10.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.864 -1.161 . . . . 90.0 107.864 175.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.282 -2.329 0 N-CA-C 109.589 -0.523 . . . . 90.0 109.589 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.736 ' H2A' ' O2 ' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 106.35 -1.722 . . . . 90.0 106.35 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.16 147.49 22.89 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.459 -0.571 . . . . 90.0 109.459 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.43 145.46 36.12 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.066 0.46 . . . . 90.0 110.834 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -129.62 137.03 50.46 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.148 -1.056 . . . . 90.0 108.148 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.75 -9.14 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-O 120.901 0.381 . . . . 90.0 111.566 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 p 64.64 22.19 12.57 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.216 1.806 . . . . 90.0 113.788 174.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -89.23 122.53 32.6 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-O 121.605 0.717 . . . . 90.0 112.245 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.0 p -105.57 -5.01 20.52 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.627 1.203 . . . . 90.0 108.866 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.83 -169.29 42.39 Favored Glycine 0 N--CA 1.413 -2.881 0 N-CA-C 109.152 -1.579 . . . . 90.0 109.152 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 t -160.4 -135.14 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 104.972 -2.232 . . . . 90.0 104.972 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 -127.5 47.41 2.38 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 96' ' ' ILE . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.794 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 61' ' ' PHE . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.661 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.614 ' HZ ' ' HG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.661 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.688 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.2 t60 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HD12 ' A' ' 79' ' ' ILE . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.46 ' HB3' " H3'" ' A' 1126 ' ' FAD . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' C8M' ' A' 1126 ' ' FAD . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.49 ' HE1' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.794 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.63 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.688 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.523 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.1 -43.74 97.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.38 94.09 7.62 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -121.09 -50.17 2.16 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.12 0.486 . . . . 90.0 109.827 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 p -145.17 -25.46 0.48 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.048 -0.524 . . . . 90.0 111.29 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.5 p 64.53 167.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.543 1.937 . . . . 90.0 111.013 -174.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.79 -21.25 34.63 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.794 -0.567 . . . . 90.0 111.669 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.99 10.53 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.974 0.892 . . . . 90.0 110.573 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -125.02 -42.22 2.04 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.371 -0.831 . . . . 90.0 111.046 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.21 -50.99 68.07 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 107.632 -1.247 . . . . 90.0 107.632 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 64.72 -44.77 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.02 1.728 . . . . 90.0 114.864 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.467 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 23.8 t -43.59 -39.63 3.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.21 1.804 . . . . 90.0 112.288 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 pp -53.46 -27.44 24.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.965 1.468 . . . . 90.0 114.965 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -132.58 -15.05 1.45 Allowed Glycine 0 C--N 1.313 -0.72 0 C-N-CA 120.049 -1.072 . . . . 90.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 tp -97.27 -50.28 4.62 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.068 0.461 . . . . 90.0 111.023 -177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -95.05 31.75 1.82 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 122.046 0.927 . . . . 90.0 111.346 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -121.83 109.71 15.0 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.292 -1.744 . . . . 90.0 106.292 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.4 p -85.3 144.24 28.21 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.704 0.764 . . . . 90.0 111.769 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 121.58 10.47 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 105.317 -2.105 . . . . 90.0 105.317 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 C--N 1.28 -2.448 0 CA-C-N 116.319 -0.401 . . . . 90.0 110.307 -172.697 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.584 ' C8M' ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp . . . . . 0 C--O 1.236 0.364 0 N-CA-C 108.334 -0.987 . . . . 90.0 108.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.89 158.52 35.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.134 -1.061 . . . . 90.0 108.134 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.29 125.0 17.57 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.902 0.858 . . . . 90.0 111.781 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' HG22 ' A' ' 10' ' ' THR . 10.9 t70 -80.53 163.51 23.66 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.899 -1.5 . . . . 90.0 108.572 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.47 -10.65 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.938 1.088 . . . . 90.0 113.938 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 HG22 ' HB3' ' A' ' 8' ' ' ASP . 4.0 t -44.8 117.95 1.47 Allowed 'General case' 0 C--O 1.245 0.845 0 C-N-CA 123.954 0.901 . . . . 90.0 112.295 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -78.71 139.39 38.48 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.056 -0.52 . . . . 90.0 111.38 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -97.58 -67.92 0.82 Allowed 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.359 -0.837 . . . . 90.0 110.675 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.76 83.23 0.28 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.296 -0.721 . . . . 90.0 111.296 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -102.52 -44.99 5.19 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 112.775 0.657 . . . . 90.0 112.775 -175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 -115.46 49.34 1.09 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 -171.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' HD13 ' A' ' 96' ' ' ILE . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.704 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 86' ' ' SER . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 46.3 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.443 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 72' ' ' VAL . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.8 t60 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 65' ' ' LEU . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' HB3' " H3'" ' A' 1126 ' ' FAD . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.602 HG23 ' HE1' ' A' ' 85' ' ' HIS . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.2 mm100 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.693 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HB2' HM81 ' A' 1126 ' ' FAD . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.693 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 23' ' ' SER . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.717 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.589 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.615 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -83.8 13.19 5.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.15 -65.14 0.73 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.609 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.9 t 57.5 -92.0 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.032 0.832 . . . . 90.0 110.217 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 80.4 m -154.87 23.49 0.44 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.967 -1.494 . . . . 90.0 106.967 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.273 7.1 p 56.49 -74.88 0.02 OUTLIER 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.348 1.459 . . . . 90.0 111.787 -170.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.528 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -157.92 -54.04 0.07 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.17 -0.678 . . . . 90.0 109.17 170.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.51 24.95 12.47 Favored 'General case' 0 C--N 1.366 1.295 0 CA-C-O 122.593 1.187 . . . . 90.0 109.285 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.528 ' H ' ' HG2' ' A' ' 112' ' ' GLU . 13.6 t70 -97.45 -53.89 3.31 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.818 -1.537 . . . . 90.0 109.397 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.97 -49.08 2.88 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.584 -0.734 . . . . 90.0 111.118 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 28.7 mmt180 68.73 25.26 6.42 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.811 0.694 . . . . 90.0 109.652 -175.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 5.1 p -74.4 2.36 9.61 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 122.413 1.102 . . . . 90.0 110.613 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.64 -29.37 67.97 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.587 -1.642 . . . . 90.0 109.792 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.46 -18.05 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.411 -0.9 . . . . 90.0 113.185 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 116' ' ' ARG . 7.2 mp -84.0 -76.48 0.29 Allowed 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 117.361 0.58 . . . . 90.0 109.783 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -85.5 74.74 10.27 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.24 -1.022 . . . . 90.0 108.24 177.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 -52.03 0.57 Allowed 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 104.269 -2.493 . . . . 90.0 104.269 -177.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 m 73.43 134.78 0.05 OUTLIER 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.881 -1.509 . . . . 90.0 114.543 170.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 117.7 21.31 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.098 -1.445 . . . . 90.0 107.098 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.266 -3.03 0 CA-C-N 114.836 -1.074 . . . . 90.0 109.269 -176.028 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.413 HM81 ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.158 -0.682 . . . . 90.0 109.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -104.95 160.48 14.99 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.493 -0.929 . . . . 90.0 108.493 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 133.67 55.66 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.762 0.663 . . . . 90.0 109.455 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.81 135.72 38.0 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.185 -1.043 . . . . 90.0 108.185 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.08 -16.48 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 N-CA-C 113.283 0.845 . . . . 90.0 113.283 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p 55.77 -157.32 0.24 Allowed 'General case' 0 C--O 1.26 1.621 0 C-N-CA 125.023 1.329 . . . . 90.0 109.795 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 mtt -105.83 83.46 1.92 Allowed 'General case' 0 N--CA 1.407 -2.62 0 CA-C-O 121.862 0.839 . . . . 90.0 109.795 172.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -106.72 -61.47 1.53 Allowed 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 113.965 -1.47 . . . . 90.0 108.78 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.88 -115.6 6.3 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 110.084 -1.206 . . . . 90.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 t -168.05 -96.71 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 121.362 0.601 . . . . 90.0 110.653 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 -137.1 65.83 1.49 Allowed 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 124.973 1.309 . . . . 10.0 109.531 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 95' ' ' SER . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.615 ' OG ' HD13 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.79 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 106' ' ' MET . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 31.8 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.607 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.627 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.0 t60 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.414 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' CB ' HD21 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.721 HG21 HG23 ' A' ' 79' ' ' ILE 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.79 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 17' ' ' VAL . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.615 HD13 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 -79.64 -39.55 31.21 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.2 69.35 7.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.125 0.964 . . . . 10.0 109.015 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 m -104.83 -24.44 12.89 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.667 -1.975 . . . . 90.0 105.667 170.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.2 t 172.58 -178.93 0.07 Allowed 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 102.575 -3.12 . . . . 90.0 102.575 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 p -164.64 -173.71 3.13 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.662 -0.866 . . . . 90.0 108.662 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 11.3 mp0 -56.83 -54.05 50.91 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.248 0.968 . . . . 90.0 108.43 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.19 -7.09 0.13 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.495 1.518 . . . . 90.0 114.699 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.58 -36.76 21.86 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.315 -0.624 . . . . 90.0 109.315 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 65.5 mtt -63.52 -45.14 91.99 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.721 -0.844 . . . . 90.0 108.721 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 68.2 -26.19 0.13 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.248 1.819 . . . . 90.0 114.064 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 2.6 p -65.62 -0.06 1.87 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.597 1.559 . . . . 90.0 113.496 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.8 -3.28 30.84 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.778 1.231 . . . . 90.0 112.23 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 150.37 -24.38 1.09 Allowed Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.323 -0.941 . . . . 90.0 112.635 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -79.38 -58.97 2.95 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.286 -1.005 . . . . 90.0 108.286 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -101.17 91.51 4.56 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-O 121.97 0.89 . . . . 90.0 110.109 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -140.36 153.36 46.36 Favored 'General case' 0 C--N 1.269 -2.907 0 N-CA-C 105.402 -2.073 . . . . 90.0 105.402 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.1 m -65.99 147.0 54.04 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.082 0.468 . . . . 90.0 110.586 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.521 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -127.6 27.85 5.73 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.008 -1.108 . . . . 90.0 108.008 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 114.5 -1.227 . . . . 90.0 110.515 -171.609 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.731 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 C--O 1.24 0.589 0 N-CA-C 107.574 -1.269 . . . . 90.0 107.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.22 147.91 23.26 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.023 -0.732 . . . . 90.0 109.023 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.1 136.53 32.99 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 115.704 -0.68 . . . . 90.0 109.663 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.45 153.13 18.09 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.777 -1.194 . . . . 90.0 107.777 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.41 -34.93 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 112.958 0.725 . . . . 90.0 112.958 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 p 43.9 60.77 2.57 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.157 0.983 . . . . 90.0 112.838 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.0 mtm -94.02 93.25 7.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 115.932 -0.576 . . . . 90.0 111.363 -175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -79.83 -56.21 4.43 Favored 'General case' 0 N--CA 1.411 -2.413 0 N-CA-C 108.054 -1.091 . . . . 90.0 108.054 172.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -175.27 156.76 22.91 Favored Glycine 0 N--CA 1.405 -3.41 0 N-CA-C 109.867 -1.293 . . . . 90.0 109.867 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.3 p -138.63 -39.93 0.51 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.289 0.566 . . . . 90.0 111.766 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 -104.12 44.66 1.01 Allowed 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.923 0.889 . . . . 10.0 111.112 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 95' ' ' SER . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.768 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.718 ' HG ' ' HB3' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' OG1' ' A' ' 30' ' ' THR . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.983 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' HH2' ' A' ' 104' ' ' TRP . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.521 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 63.6 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.72 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' H6 ' ' A' 1126 ' ' FAD . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.5 t60 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 65' ' ' LEU . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.715 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.715 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.482 ' HB3' HD11 ' A' ' 37' ' ' ILE . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.768 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.714 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' VAL . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD12 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.594 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.682 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.72 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 -52.0 -43.93 63.88 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.8 77.71 1.47 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 106.447 -1.686 . . . . 10.0 106.447 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -81.23 -26.12 36.13 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.226 -1.398 . . . . 90.0 107.226 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.8 p -168.42 153.58 6.49 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 105.373 -2.084 . . . . 90.0 105.373 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.8 p -87.77 157.07 19.13 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.2 -1.0 . . . . 90.0 109.348 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.45 -45.18 95.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.456 -0.338 . . . . 90.0 110.703 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 65.7 -28.15 0.11 Allowed 'General case' 0 C--O 1.196 -1.756 0 N-CA-C 115.177 1.547 . . . . 90.0 115.177 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.6 -38.02 30.12 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 118.054 0.388 . . . . 90.0 110.839 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.8 mmt -60.97 -48.46 81.73 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 116.171 -0.468 . . . . 90.0 110.116 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 66.64 -45.79 0.44 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.148 1.379 . . . . 90.0 114.381 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.3 m -58.11 -8.42 1.06 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.499 1.52 . . . . 90.0 113.837 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.26 -25.12 65.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.681 0.392 . . . . 90.0 110.588 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.276 -0.964 . . . . 90.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.68 -53.88 40.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.04 -0.726 . . . . 90.0 109.04 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.48 33.0 1.14 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 122.5 1.143 . . . . 90.0 110.219 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -123.53 137.1 54.84 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.658 -1.978 . . . . 90.0 105.658 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -76.48 132.11 39.41 Favored 'General case' 0 N--CA 1.409 -2.519 0 CA-C-O 121.303 0.573 . . . . 90.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -72.86 -7.74 52.27 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.238 -0.892 . . . . 90.0 109.496 173.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.378 -0.971 . . . . 90.0 108.378 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.545 H1'2 " O4'" ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.131 0.491 . . . . 90.0 110.136 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.73 149.46 40.52 Favored 'General case' 0 N--CA 1.402 -2.85 0 N-CA-C 105.113 -2.18 . . . . 90.0 105.113 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 135.67 56.39 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 123.949 0.781 . . . . 90.0 109.418 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 120.98 14.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.488 -0.56 . . . . 90.0 109.488 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.72 6.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.539 1.311 . . . . 90.0 114.539 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 p 69.43 139.26 0.04 OUTLIER 'General case' 0 C--O 1.241 0.637 0 C-N-CA 126.638 1.975 . . . . 90.0 114.554 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.13 70.64 6.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.6 -0.889 . . . . 90.0 108.6 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -114.38 80.25 1.37 Allowed 'General case' 0 N--CA 1.415 -2.175 0 CA-C-O 122.131 0.967 . . . . 90.0 111.374 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.58 154.29 21.68 Favored Glycine 0 N--CA 1.421 -2.365 0 N-CA-C 108.517 -1.833 . . . . 90.0 108.517 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -117.8 -43.05 2.8 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 113.402 0.89 . . . . 90.0 113.402 -175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -109.01 48.65 0.85 Allowed 'General case' 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 -169.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 95' ' ' SER . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.777 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.584 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 4.1 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.712 HD13 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.53 HE21 ' H6 ' ' A' 1126 ' ' FAD . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.9 t60 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 88' ' ' VAL . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 88' ' ' VAL . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.777 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 17' ' ' VAL . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.604 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.712 ' SD ' HD13 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 -84.73 -53.75 5.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 108' ' ' LEU . 1.6 pp -131.83 121.92 24.89 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 120.401 -0.52 . . . . 10.0 112.167 -177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.2 p -86.13 -69.62 0.65 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.699 0.285 . . . . 90.0 110.411 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.3 p -78.38 19.97 0.44 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.551 0.74 . . . . 90.0 112.218 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 m 67.77 -78.17 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.925 1.29 . . . . 90.0 109.627 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.8 142.85 10.89 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.791 -0.818 . . . . 90.0 108.791 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.4 37.63 2.06 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 104.299 -2.482 . . . . 90.0 104.299 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.97 -60.88 1.69 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.075 -1.875 . . . . 90.0 111.184 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 117' ' ' SER . 97.0 mmm -76.48 -44.63 34.57 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.893 -0.78 . . . . 90.0 108.893 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 66.6 -25.2 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.399 1.48 . . . . 90.0 114.403 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 115' ' ' MET . 12.0 t -81.55 17.99 1.29 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.405 0.682 . . . . 90.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -100.8 15.37 28.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.485 0.714 . . . . 90.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 119.85 5.72 10.7 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.58 -0.819 . . . . 90.0 113.032 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 32.2 tp -94.9 -49.98 5.33 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.587 0.708 . . . . 90.0 109.357 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.59 87.55 4.76 Favored 'General case' 0 N--CA 1.417 -2.094 0 CA-C-N 115.623 -0.717 . . . . 90.0 109.733 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.9 -63.65 1.02 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.975 -1.011 . . . . 90.0 111.154 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.0 t 69.17 144.21 0.05 OUTLIER 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.069 0.947 . . . . 90.0 112.295 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.91 121.94 7.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.377 -0.601 . . . . 90.0 109.377 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.283 -2.283 0 CA-C-N 115.251 -0.886 . . . . 90.0 110.128 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.79 " O5'" H51A ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 106.471 -1.678 . . . . 90.0 106.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.13 151.71 22.52 Favored 'General case' 0 N--CA 1.422 -1.847 0 C-N-CA 120.114 -0.634 . . . . 90.0 109.549 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.55 131.86 34.24 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.507 -0.923 . . . . 90.0 108.507 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.39 144.39 32.72 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.525 -1.287 . . . . 90.0 107.525 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -53.87 -40.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 123.577 0.548 . . . . 90.0 112.428 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.4 p 50.99 171.11 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.762 1.625 . . . . 90.0 115.056 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -99.97 88.33 3.73 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 107.202 -1.407 . . . . 90.0 107.202 171.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -73.84 -47.18 40.27 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.232 -0.894 . . . . 90.0 111.597 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 97' ' ' ALA . . . 107.52 101.93 2.75 Favored Glycine 0 N--CA 1.42 -2.41 0 C-N-CA 120.83 -0.7 . . . . 90.0 112.536 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 m -112.62 -74.43 0.63 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 120.294 -0.563 . . . . 90.0 111.954 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.518 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 -116.75 48.08 1.35 Allowed 'General case' 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 -168.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.793 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.552 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 84' ' ' ARG . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 34' ' ' LEU . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 18.4 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.53 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.665 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 69.4 t60 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 HG21 ' A' ' 88' ' ' VAL . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.5 mm100 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.649 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.485 ' HB3' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.649 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.589 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.793 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.562 ' HA ' HG22 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.501 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.548 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -63.54 -66.25 0.57 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.91 84.83 7.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 m -76.01 -25.03 55.33 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.051 0.453 . . . . 90.0 111.641 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.481 ' HA ' HD11 ' A' ' 35' ' ' LEU . 29.8 t -142.87 39.85 1.5 Allowed 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 107.043 -1.466 . . . . 90.0 107.043 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t 69.02 -168.93 0.18 Allowed 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.11 -1.405 . . . . 90.0 107.216 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG2' HD21 ' A' ' 118' ' ' LEU . 1.5 pp20? -82.61 -53.75 5.7 Favored 'General case' 0 N--CA 1.414 -2.23 0 C-N-CA 119.273 -0.971 . . . . 90.0 109.079 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.7 26.25 5.74 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.89 1.276 . . . . 90.0 111.594 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.94 -51.09 2.47 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.019 0.438 . . . . 90.0 110.577 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.9 ptm -106.04 -39.78 5.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.817 -0.629 . . . . 90.0 110.388 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 65.92 -39.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.101 1.36 . . . . 90.0 113.577 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 16.0 m -53.37 -6.92 0.08 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.256 1.822 . . . . 90.0 115.471 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.41 HD21 ' HG2' ' A' ' 112' ' ' GLU . 2.2 pp -82.48 -7.45 59.64 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 112.539 0.57 . . . . 90.0 112.539 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 172.43 -34.09 0.13 Allowed Glycine 0 CA--C 1.504 -0.63 0 C-N-CA 120.389 -0.91 . . . . 90.0 112.139 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' A' ' 116' ' ' ARG . 7.4 mp -72.18 -53.67 11.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.685 0.755 . . . . 90.0 109.852 178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -104.69 86.75 2.54 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 115.561 -0.745 . . . . 90.0 110.652 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.39 159.78 36.97 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 103.336 -2.839 . . . . 90.0 103.336 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -76.66 103.15 6.48 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 118.378 0.536 . . . . 90.0 110.587 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -129.55 16.39 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.781 -0.368 . . . . 90.0 111.783 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.942 0 N-CA-C 113.579 0.955 . . . . 90.0 113.579 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.582 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 109.386 -0.598 . . . . 90.0 109.386 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.63 152.86 42.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.267 0.556 . . . . 90.0 111.968 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.32 129.69 34.93 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 115.154 -0.93 . . . . 90.0 108.764 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.27 138.54 49.48 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.407 -0.815 . . . . 90.0 109.677 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 11' ' ' MET . 27.6 m -62.32 -23.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 113.508 0.929 . . . . 90.0 113.508 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.7 p 54.28 71.33 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.801 1.24 . . . . 90.0 113.548 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.514 ' HG3' HG23 ' A' ' 9' ' ' VAL . 62.7 mtm -86.94 -41.59 13.83 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 114.773 -1.103 . . . . 90.0 108.674 177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 27.6 p -106.21 -177.12 3.27 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 114.309 -1.314 . . . . 90.0 111.018 -178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.03 -128.77 1.01 Allowed Glycine 0 N--CA 1.42 -2.381 0 N-CA-C 109.585 -1.406 . . . . 90.0 109.585 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -160.52 -34.35 0.05 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.907 0.384 . . . . 90.0 111.32 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.595 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 -103.35 42.53 1.16 Allowed 'General case' 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 -169.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.671 ' HB2' HD13 ' A' ' 96' ' ' ILE . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 34' ' ' LEU . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 63.6 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' HB3' ' NE2' ' A' ' 107' ' ' GLN . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' HG3' HM72 ' A' 1126 ' ' FAD . 0.1 OUTLIER -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 69.3 t60 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.714 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 88' ' ' VAL . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 82' ' ' ASP . 15.9 mm100 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HD2' ' O1A' ' A' 1126 ' ' FAD . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HA ' HD21 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.54 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.738 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.764 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 18' ' ' SER . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 12' ' ' THR . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.553 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.486 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 56' ' ' TYR . 13.7 pt20 -70.06 -29.38 66.39 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 tp -94.15 20.64 7.76 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.401 0.62 . . . . 10.0 110.524 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.2 p -69.26 -39.31 78.51 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.76 0.79 . . . . 90.0 109.508 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.79 -170.34 1.92 Allowed 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 114.322 -1.308 . . . . 90.0 109.658 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 t -142.63 -48.55 0.34 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.102 -1.444 . . . . 90.0 107.102 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.413 ' HB2' HD11 ' A' ' 118' ' ' LEU . 25.7 mt-10 49.96 77.07 0.12 Allowed 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.1 1.76 . . . . 90.0 113.89 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.58 -13.75 61.47 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.005 -0.998 . . . . 90.0 110.039 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.06 -40.16 87.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.912 -1.04 . . . . 90.0 109.11 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' SER . 64.1 mtt -91.4 -59.79 2.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.425 -0.807 . . . . 90.0 112.081 -174.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 69.22 -20.64 0.16 Allowed 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 125.096 1.358 . . . . 90.0 111.816 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' MET . 32.9 t -85.42 18.45 2.71 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.631 1.573 . . . . 90.0 111.422 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 112' ' ' GLU . 84.3 mt -79.38 -51.94 8.73 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.73 39.66 0.06 OUTLIER Glycine 0 N--CA 1.429 -1.828 0 N-CA-C 108.794 -1.722 . . . . 90.0 108.794 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -113.85 -74.16 0.63 Allowed 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.497 -0.351 . . . . 90.0 110.605 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.6 80.85 0.06 Allowed 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.528 1.142 . . . . 90.0 111.159 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -154.63 122.62 5.9 Favored 'General case' 0 N--CA 1.421 -1.883 0 CA-C-N 114.656 -1.157 . . . . 90.0 109.515 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.3 p -156.39 121.41 4.67 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.102 -1.073 . . . . 90.0 108.102 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 136.17 15.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 120.351 -0.54 . . . . 90.0 111.253 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.288 -2.092 0 CA-C-N 114.462 -1.245 . . . . 90.0 111.48 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.564 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.497 -1.073 0 N-CA-C 109.743 -0.466 . . . . 90.0 109.743 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.36 154.93 38.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.615 0.766 . . . . 90.0 111.237 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 135.72 57.6 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.194 -1.039 . . . . 90.0 108.194 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.17 -74.17 0.2 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.747 -0.464 . . . . 90.0 109.747 -174.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.7 m -138.37 1.55 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.227 0 C-N-CA 123.11 0.564 . . . . 90.0 111.465 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p 56.9 -99.58 0.1 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 123.929 0.892 . . . . 90.0 111.159 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 84.0 mtp -122.5 -68.08 0.91 Allowed 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 108.309 -0.997 . . . . 90.0 108.309 170.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p 42.9 -94.49 0.02 OUTLIER 'General case' 0 C--O 1.242 0.704 0 N-CA-C 115.361 1.615 . . . . 90.0 115.361 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.39 164.44 30.47 Favored Glycine 0 N--CA 1.416 -2.642 0 N-CA-C 108.881 -1.688 . . . . 90.0 108.881 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m -145.13 -157.08 0.76 Allowed 'General case' 0 N--CA 1.398 -3.051 0 N-CA-C 106.532 -1.655 . . . . 90.0 106.532 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 -93.82 42.38 1.1 Allowed 'General case' 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 95' ' ' SER . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.751 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 73.0 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.471 ' O ' HG22 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' HD23 ' A' ' 54' ' ' LEU . 27.9 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' HG2' ' A' ' 98' ' ' LYS . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.624 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 70.8 t60 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.8 mm100 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 20.0 m120 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.624 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' HG3' ' HG ' ' A' ' 91' ' ' LEU . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.751 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' A' ' 89' ' ' GLU . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 17' ' ' VAL . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -50.54 -33.93 23.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.0 tp -50.66 -40.92 54.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.674 0.79 . . . . 10.0 110.58 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.0 p 45.13 -91.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.166 1.543 . . . . 90.0 115.166 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.6 p -124.32 7.5 8.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.866 0.467 . . . . 90.0 111.568 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.253 52.3 p 60.76 129.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.997 1.719 . . . . 90.0 114.12 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 115' ' ' MET . 2.4 mp0 -84.22 12.29 6.82 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 114.747 1.388 . . . . 90.0 114.747 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.53 -14.82 61.74 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.105 -0.702 . . . . 90.0 109.105 174.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.49 -41.48 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.751 -1.113 . . . . 90.0 111.305 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 26.3 ptm -71.18 -21.88 62.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 119.931 -0.708 . . . . 90.0 110.264 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 69.13 -58.81 0.49 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.688 1.595 . . . . 90.0 113.134 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 31.1 t -62.69 -2.37 1.11 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.326 1.85 . . . . 90.0 115.38 -171.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 112' ' ' GLU . 1.1 pp -76.21 -22.64 55.02 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 118.612 -1.235 . . . . 90.0 113.153 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -178.26 -30.48 0.05 OUTLIER Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.661 -1.257 . . . . 90.0 112.707 -175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.68 -48.93 52.25 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.917 -1.142 . . . . 90.0 107.917 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -93.15 88.93 6.25 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.745 -1.576 . . . . 90.0 106.745 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -133.4 149.28 51.82 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 114.173 -1.376 . . . . 90.0 108.372 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 p -79.98 94.19 5.86 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 109.246 -0.649 . . . . 90.0 109.246 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.588 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -94.6 -9.98 33.4 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.843 -0.617 . . . . 90.0 109.827 -179.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 . . . . . 0 C--O 1.248 0.993 0 C-N-CA 125.751 1.62 . . . . 90.0 113.645 -179.56 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.475 HM82 ' CG ' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 107.98 -1.118 . . . . 90.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.5 155.57 39.66 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.149 0.5 . . . . 90.0 111.173 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 136.94 54.15 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.013 -0.994 . . . . 90.0 110.76 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.56 146.92 29.89 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.304 -0.862 . . . . 90.0 109.279 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -60.18 -26.41 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 N-CA-C 113.722 1.008 . . . . 90.0 113.722 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 p 61.02 169.11 0.1 Allowed 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.222 1.809 . . . . 90.0 113.421 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -141.93 122.05 13.8 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.976 -1.12 . . . . 90.0 107.976 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -113.63 165.67 12.29 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.053 -0.521 . . . . 90.0 111.215 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 107.33 0.52 Allowed Glycine 0 N--CA 1.414 -2.78 0 N-CA-C 109.837 -1.305 . . . . 90.0 109.837 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -90.51 -36.27 14.6 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.464 0.65 . . . . 90.0 111.769 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 -120.29 53.32 1.09 Allowed 'General case' 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -172.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 95' ' ' SER . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.62 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.661 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.661 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 65' ' ' LEU . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 66.7 t60 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.554 HG23 HG21 ' A' ' 88' ' ' VAL . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HB3' HD21 ' A' ' 29' ' ' LEU . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.804 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' OG ' ' A' ' 18' ' ' SER . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.528 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -71.5 -31.18 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.13 86.22 2.98 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.393 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.4 t -104.94 -7.17 19.49 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.5 -1.296 . . . . 90.0 107.5 174.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -173.0 142.48 1.07 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 105.55 -2.019 . . . . 90.0 105.55 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 m -61.77 -55.98 24.35 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.155 -1.424 . . . . 90.0 107.155 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.07 -44.69 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 127.726 2.41 . . . . 90.0 107.256 174.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.92 28.03 6.14 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.667 1.587 . . . . 90.0 112.634 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.69 -39.12 0.89 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.673 0.749 . . . . 90.0 110.424 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.8 ttm -97.3 -38.09 9.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.334 -0.988 . . . . 90.0 108.334 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' HG3' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 67.93 -1.79 1.63 Allowed 'General case' 0 C--O 1.25 1.112 0 C-N-CA 125.331 1.453 . . . . 90.0 113.857 177.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.5 m -71.85 -3.15 20.68 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.778 0.831 . . . . 90.0 113.201 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -73.78 -20.18 60.56 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.312 -0.625 . . . . 90.0 109.312 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.98 37.02 0.41 Allowed Glycine 0 N--CA 1.426 -2.025 0 CA-C-N 115.57 -0.741 . . . . 90.0 112.295 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.442 HD23 ' HG3' ' A' ' 116' ' ' ARG . 24.9 tp -105.68 -42.73 5.1 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.619 -0.882 . . . . 90.0 108.619 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.15 86.11 6.45 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.574 0.702 . . . . 90.0 109.434 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -121.11 153.26 37.7 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.445 -1.317 . . . . 90.0 107.445 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -76.75 90.1 3.42 Favored 'General case' 0 N--CA 1.421 -1.879 0 N-CA-C 105.558 -2.016 . . . . 90.0 105.558 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.592 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -65.55 -26.62 67.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.425 -1.261 . . . . 90.0 114.047 -173.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 C--N 1.309 -1.174 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.585 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.55 ' H6 ' ' HG3' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.493 -1.223 0 N-CA-C 108.758 -0.83 . . . . 90.0 108.758 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -69.41 147.56 50.83 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 109.47 -0.567 . . . . 90.0 109.47 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 137.9 47.43 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.413 -0.812 . . . . 90.0 110.251 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -90.53 151.37 21.37 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.128 -1.434 . . . . 90.0 107.128 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.56 -38.44 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 112.92 0.711 . . . . 90.0 112.92 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.5 p 50.86 -174.9 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.278 1.431 . . . . 90.0 113.98 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 3.1 mpp? -82.68 82.37 8.07 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 108.84 -0.8 . . . . 90.0 108.84 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -105.2 -83.83 0.5 Allowed 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 114.991 -1.004 . . . . 90.0 111.111 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 123.69 1.12 Allowed Glycine 0 N--CA 1.425 -2.038 0 N-CA-C 108.033 -2.027 . . . . 90.0 108.033 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -148.65 -166.25 2.5 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 106.695 -1.594 . . . . 90.0 106.695 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 -105.19 46.92 0.89 Allowed 'General case' 0 C--N 1.274 -2.681 0 C-N-CA 124.838 1.255 . . . . 10.0 111.147 -174.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 95' ' ' SER . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.678 ' HB2' HD13 ' A' ' 96' ' ' ILE . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.621 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 88' ' ' VAL . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 34' ' ' LEU . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 75.3 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.6 t60 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 82' ' ' ASP . 14.6 mm100 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' ' HB ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.703 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.431 ' HA ' HG22 ' A' ' 17' ' ' VAL . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 18' ' ' SER . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.534 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.577 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -66.41 -70.19 0.26 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.654 ' H ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -96.93 -21.89 17.19 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -176.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 m 66.95 -60.67 0.35 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 90.0 112.115 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 53.1 t -138.86 -53.89 0.59 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.294 -1.373 . . . . 90.0 107.294 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.7 p -173.85 179.73 1.93 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.279 -1.378 . . . . 90.0 107.279 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.41 -38.7 5.15 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.749 0.309 . . . . 90.0 110.307 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.69 19.34 11.67 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.629 1.171 . . . . 90.0 112.085 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -124.9 -28.68 3.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.147 0.499 . . . . 90.0 111.367 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 23.8 mmt -97.88 -51.18 4.15 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.022 -1.473 . . . . 90.0 107.022 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.95 -14.05 0.47 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.569 1.548 . . . . 90.0 112.595 -176.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.0 m -68.38 -8.47 40.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.073 1.349 . . . . 90.0 113.031 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.65 -60.12 2.51 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.056 0.455 . . . . 90.0 109.903 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.57 48.41 0.18 Allowed Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 110.603 -0.999 . . . . 90.0 110.603 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' ARG . 7.0 mp -124.8 -48.74 1.76 Allowed 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 120.793 0.33 . . . . 90.0 111.074 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 116' ' ' ARG . . . -84.74 70.56 10.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 122.196 0.998 . . . . 90.0 111.709 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -98.8 141.47 31.55 Favored 'General case' 1 N--CA 1.369 -4.476 0 N-CA-C 105.633 -1.988 . . . . 90.0 105.633 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 t -82.02 122.4 27.76 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.528 -0.916 . . . . 90.0 108.528 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -70.94 -20.18 62.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.977 0.732 . . . . 90.0 112.977 -177.053 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 . . . . . 0 C--O 1.244 0.796 0 O-C-N 123.97 0.794 . . . . 90.0 112.093 177.61 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.536 HM82 ' ND1' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.497 -1.065 0 N-CA-C 107.391 -1.337 . . . . 90.0 107.391 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -73.18 155.4 39.65 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 123.705 0.628 . . . . 90.0 110.491 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.58 146.5 40.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.751 -0.658 . . . . 90.0 111.671 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.33 148.58 45.2 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.841 -0.8 . . . . 90.0 108.841 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -58.58 -29.44 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 112.827 0.677 . . . . 90.0 112.827 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p 58.06 179.91 0.06 Allowed 'General case' 0 C--O 1.248 0.989 0 C-N-CA 125.815 1.646 . . . . 90.0 114.424 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.4 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 1.1 mpt? -77.76 -24.21 49.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.692 -0.484 . . . . 90.0 109.692 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 p 57.51 95.97 0.02 OUTLIER 'General case' 0 C--O 1.245 0.852 0 C-N-CA 125.158 1.383 . . . . 90.0 114.003 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.58 64.64 3.24 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.048 -1.621 . . . . 90.0 109.048 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 -81.03 0.2 Allowed 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.937 -0.631 . . . . 90.0 111.657 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -149.38 63.86 1.02 Allowed 'General case' 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 -175.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.818 ' CE1' HG23 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.657 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 65' ' ' LEU . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.709 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.614 ' OE1' ' H6 ' ' A' 1126 ' ' FAD . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.707 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.5 t60 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.689 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG23 HG21 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' MET . 15.2 mm100 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' GLN 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.578 ' HB3' ' C8M' ' A' 1126 ' ' FAD . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.56 ' HE1' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.818 HG23 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.658 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.511 HD12 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' H ' ' CD ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.709 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.668 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.506 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -66.47 -29.56 69.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -102.38 77.71 1.67 Allowed 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 107.349 -1.352 . . . . 10.0 107.349 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 p -113.53 4.1 16.03 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.493 -1.299 . . . . 90.0 107.493 173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 64.8 m -137.32 122.49 19.21 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 113.622 -1.626 . . . . 90.0 106.77 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 m -80.18 175.94 10.2 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.694 -0.484 . . . . 90.0 109.694 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -99.18 -147.49 0.34 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.915 -0.772 . . . . 90.0 108.915 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 72.93 -0.08 3.49 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.847 1.259 . . . . 90.0 112.146 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -103.36 -39.43 6.8 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.651 -0.87 . . . . 90.0 108.651 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 118' ' ' LEU . 66.7 mtt -81.08 -47.27 13.76 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 116.061 -0.518 . . . . 90.0 111.404 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -63.89 0.27 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.334 0.864 . . . . 90.0 113.334 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.1 t -70.3 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 126.078 1.751 . . . . 90.0 113.689 -169.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 115' ' ' MET . 91.4 mt -96.19 -14.15 22.96 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.445 -0.946 . . . . 90.0 108.445 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.48 20.74 6.07 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 109.561 -1.416 . . . . 90.0 109.561 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.0 tp -79.29 -45.13 20.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.258 -1.386 . . . . 90.0 107.258 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -91.09 98.43 11.75 Favored 'General case' 0 N--CA 1.396 -3.151 0 CA-C-N 114.216 -1.356 . . . . 90.0 107.571 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -40.32 115.29 0.54 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.581 -1.645 . . . . 90.0 111.756 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -98.89 117.99 34.63 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.766 -0.652 . . . . 90.0 109.333 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 133.41 19.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.324 0.583 . . . . 90.0 109.987 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 C--N 1.278 -2.519 0 CA-C-N 114.677 -1.147 . . . . 90.0 112.255 178.52 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.614 ' H6 ' ' OE1' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 106.591 -1.633 . . . . 90.0 106.591 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -95.29 154.57 17.12 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 109.979 -0.378 . . . . 90.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.53 142.01 46.71 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.746 -0.661 . . . . 90.0 109.47 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -67.45 0.4 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 123.69 0.619 . . . . 90.0 111.355 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.65 11.99 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 CA-C-O 121.21 0.529 . . . . 90.0 109.867 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.9 p 70.89 176.68 0.28 Allowed 'General case' 0 C--O 1.252 1.184 0 C-N-CA 126.776 2.03 . . . . 90.0 111.641 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.8 mtp -68.73 167.83 14.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.724 0.297 . . . . 90.0 111.333 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 61.6 p 73.67 -5.72 1.94 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.794 1.638 . . . . 90.0 114.236 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.77 -89.72 1.06 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.414 -0.422 . . . . 90.0 112.993 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 p -156.07 -67.66 0.11 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 120.803 0.335 . . . . 90.0 111.076 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 -176.01 87.15 0.03 OUTLIER 'General case' 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' LEU . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 HG21 " C5'" ' A' 1126 ' ' FAD . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 70.6 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB3' H62A ' A' 1126 ' ' FAD . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 65' ' ' LEU . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.561 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 64.0 t60 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.649 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.2 mm100 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HB2' HM81 ' A' 1126 ' ' FAD . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.718 ' CD2' HM82 ' A' 1126 ' ' FAD . 0.1 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.659 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.629 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 -78.49 -42.8 28.65 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.65 71.11 2.6 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.14 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -76.08 -46.75 27.51 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.907 0.86 . . . . 90.0 108.874 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.6 p -118.63 -8.55 10.39 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.464 -1.244 . . . . 90.0 109.292 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.9 p 56.78 179.99 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.584 1.554 . . . . 90.0 112.629 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -119.03 23.51 11.34 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.167 0.508 . . . . 90.0 109.796 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.82 -38.05 67.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.579 -0.737 . . . . 90.0 109.907 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.9 -22.34 59.74 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.906 -1.043 . . . . 90.0 110.559 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 85.7 mtp -78.64 -19.06 53.46 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.275 -1.009 . . . . 90.0 108.275 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 120' ' ' LEU 0.389 0.0 OUTLIER 50.46 24.94 1.74 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.163 1.785 . . . . 90.0 114.421 -175.657 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -74.93 -9.88 58.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.215 -0.902 . . . . 90.0 109.615 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.1 mt -86.35 -6.37 58.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.922 -1.035 . . . . 90.0 110.453 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.58 57.8 2.14 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.427 -1.069 . . . . 90.0 110.427 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 116' ' ' ARG . 43.6 tp -86.56 -28.67 23.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.358 0.599 . . . . 90.0 109.808 -177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.46 41.27 0.93 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.767 0.794 . . . . 90.0 111.269 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.29 137.23 36.57 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.995 -1.483 . . . . 90.0 106.995 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -123.53 167.58 13.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.225 0.536 . . . . 90.0 111.138 -173.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -113.42 16.19 18.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.704 -1.221 . . . . 90.0 107.704 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 114.171 -1.377 . . . . 90.0 112.871 -178.225 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.718 HM82 ' CD2' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--O 1.237 0.408 0 N-CA-C 107.683 -1.228 . . . . 90.0 107.683 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.03 151.0 45.04 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.317 -0.994 . . . . 90.0 108.317 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.05 131.38 47.32 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 124.381 1.051 . . . . 90.0 111.687 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.49 -142.95 0.12 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.679 -1.6 . . . . 90.0 106.679 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.1 m -68.2 -5.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.668 -0.645 . . . . 90.0 112.578 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p 60.11 -168.97 0.15 Allowed 'General case' 0 C--O 1.244 0.805 0 C-N-CA 125.934 1.694 . . . . 90.0 111.636 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mtt -76.18 104.13 6.56 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.376 -0.972 . . . . 90.0 108.376 175.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -71.42 80.66 0.77 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 121.764 0.792 . . . . 90.0 112.187 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -144.19 115.57 0.89 Allowed Glycine 0 N--CA 1.409 -3.141 0 CA-C-N 114.523 -1.217 . . . . 90.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 m -147.66 -33.17 0.27 Allowed 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 111.766 0.284 . . . . 90.0 111.766 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 -112.3 47.86 1.04 Allowed 'General case' 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.655 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 55.5 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.678 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' HD13 ' A' ' 50' ' ' LEU . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.671 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 65.7 t60 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.716 HG22 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.499 ' CD ' HD11 ' A' ' 90' ' ' ILE . 12.3 mm100 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.643 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.716 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.655 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.663 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -85.24 -33.7 22.14 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.06 9.15 1.02 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.12 1.155 . . . . 10.0 114.12 -173.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.9 p -84.03 -16.23 44.69 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.049 -1.093 . . . . 90.0 108.049 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.68 132.61 52.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 107.714 -1.217 . . . . 90.0 107.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 m -82.56 164.05 21.09 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.968 0.413 . . . . 90.0 109.91 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -102.34 30.99 4.23 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.9 -0.591 . . . . 90.0 109.805 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.98 -10.22 12.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.516 1.126 . . . . 90.0 114.022 -173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.0 -9.82 22.28 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.548 0.689 . . . . 90.0 110.46 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.9 mmt -103.44 -62.06 1.34 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.962 -0.755 . . . . 90.0 108.962 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 120' ' ' LEU . 14.1 mtp180 64.29 9.7 5.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.557 1.143 . . . . 90.0 112.754 175.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 p -86.03 -6.24 59.07 Favored 'General case' 0 N--CA 1.423 -1.796 0 C-N-CA 123.139 0.576 . . . . 90.0 112.216 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 112' ' ' GLU . 67.6 mt -87.29 3.65 45.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.114 0.413 . . . . 90.0 112.114 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 149.61 -25.7 1.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.254 -1.451 . . . . 90.0 114.26 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 116' ' ' ARG . 16.3 tp -65.71 -51.36 59.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.185 0.517 . . . . 90.0 110.665 -177.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . 0.25 . . 52.48 -97.64 0.06 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 115.293 1.59 . . . . 90.0 115.293 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.26 -58.38 8.73 Favored 'General case' 1 C--N 1.241 -4.128 0 CA-C-N 113.007 -1.906 . . . . 90.0 111.457 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 84.9 p -173.49 -173.04 0.84 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.458 -0.571 . . . . 90.0 109.458 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -113.7 10.41 17.93 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 108.369 -0.974 . . . . 90.0 108.369 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 C-N-CA 123.904 0.882 . . . . 90.0 109.119 -171.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.914 H51A ' N3A' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.1 147.54 28.04 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 109.74 -0.467 . . . . 90.0 109.74 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.85 133.16 41.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 123.679 0.612 . . . . 90.0 110.75 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.91 135.21 55.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.359 -0.837 . . . . 90.0 109.774 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.49 -13.16 15.76 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 114.482 1.29 . . . . 90.0 114.482 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p 61.02 179.92 0.11 Allowed 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.49 1.516 . . . . 90.0 113.311 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -74.78 121.3 21.55 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 109.181 -0.674 . . . . 90.0 109.181 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 p -85.85 -2.6 58.41 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 112.729 0.64 . . . . 90.0 112.729 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.34 99.19 0.19 Allowed Glycine 0 N--CA 1.421 -2.32 0 N-CA-C 111.366 -0.693 . . . . 90.0 111.366 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -133.75 -20.35 2.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.865 0.84 . . . . 90.0 111.069 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 -103.5 43.58 1.07 Allowed 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 125.561 1.544 . . . . 10.0 110.782 -173.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 95' ' ' SER . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.639 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.77 ' CD1' HG23 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 34' ' ' LEU . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 80.1 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 65' ' ' LEU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' HM72 ' A' 1126 ' ' FAD . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 HD23 ' A' ' 50' ' ' LEU . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.563 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 66.4 t60 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.621 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.0 mm100 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HB3' HD11 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.501 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.738 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 17' ' ' VAL . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.55 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.419 ' O ' ' HE1' ' A' ' 105' ' ' HIS . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.483 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.56 -52.84 63.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.3 mt -86.98 35.15 0.68 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -72.09 -33.33 67.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.075 -1.454 . . . . 90.0 107.075 170.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.8 t -107.29 107.92 19.08 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.725 -1.213 . . . . 90.0 107.725 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 p -81.08 168.29 18.79 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.271 -0.64 . . . . 90.0 109.271 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.277 0.0 OUTLIER -75.67 -50.22 16.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.405 0.891 . . . . 90.0 113.405 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.22 25.54 11.15 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.321 1.049 . . . . 90.0 111.294 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.21 -47.92 2.0 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.541 0.686 . . . . 90.0 110.518 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 45.0 mtt -79.83 -49.44 11.97 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 106.643 -1.614 . . . . 90.0 106.643 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 61.44 -17.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.846 1.795 . . . . 90.0 115.846 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 14.5 m -72.92 -4.62 33.17 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 123.544 0.737 . . . . 90.0 112.046 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.23 -27.2 66.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.051 0.453 . . . . 90.0 110.115 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.08 -33.54 0.03 OUTLIER Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.313 -0.946 . . . . 90.0 113.29 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.39 -49.84 57.24 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.298 0.57 . . . . 90.0 111.223 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -80.62 78.47 7.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 122.228 1.013 . . . . 90.0 112.699 -176.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.62 -6.17 25.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 105.92 -1.882 . . . . 90.0 105.92 172.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 p -87.48 93.54 9.44 Favored 'General case' 0 N--CA 1.4 -2.955 0 CA-C-N 113.698 -1.592 . . . . 90.0 112.549 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.583 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -88.9 -12.63 41.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.166 -1.05 . . . . 90.0 108.166 171.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--O 1.255 1.357 0 CA-C-N 114.392 -1.276 . . . . 90.0 107.903 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.462 HM72 ' HG3' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.569 -0.53 . . . . 90.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -126.81 164.17 21.96 Favored 'General case' 0 N--CA 1.416 -2.13 0 N-CA-C 108.776 -0.824 . . . . 90.0 108.776 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.7 136.18 17.8 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.255 0.972 . . . . 90.0 110.492 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.67 132.5 40.61 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 115.593 -0.73 . . . . 90.0 109.839 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.98 -17.33 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 114.011 1.115 . . . . 90.0 114.011 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 12' ' ' THR . 62.1 p 58.72 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.323 1.449 . . . . 90.0 113.664 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.82 -32.32 73.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.527 -0.545 . . . . 90.0 109.527 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 10' ' ' THR . 33.4 p 47.19 -95.36 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.069 1.507 . . . . 90.0 115.069 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.17 126.57 2.89 Favored Glycine 0 N--CA 1.406 -3.357 0 N-CA-C 108.411 -1.876 . . . . 90.0 108.411 -173.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -130.08 -52.82 1.12 Allowed 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.342 0.591 . . . . 90.0 111.95 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.568 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 -97.42 45.18 1.04 Allowed 'General case' 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 -172.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 95' ' ' SER . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HD2' ' O ' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.744 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.744 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CH2' ' A' ' 104' ' ' TRP . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O2 ' ' A' 1126 ' ' FAD . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 24.9 tm0? -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.693 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.527 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 71.0 t60 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG23 ' HE2' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HB2' HM81 ' A' 1126 ' ' FAD . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HE2' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.561 ' OD1' HD23 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.754 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 17' ' ' VAL . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' OE1' ' HA ' ' A' ' 107' ' ' GLN . 6.1 tp60 -67.42 -56.39 9.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.09 75.32 5.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 106.642 -1.614 . . . . 10.0 106.642 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -98.91 -17.34 18.42 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.957 -1.497 . . . . 90.0 106.957 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.1 m -151.38 152.05 32.58 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 105.933 -1.877 . . . . 90.0 105.933 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.3 m -76.8 166.13 23.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.388 -0.597 . . . . 90.0 109.388 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 115' ' ' MET . 0.0 OUTLIER -70.6 96.44 1.2 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.937 0.875 . . . . 90.0 112.373 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.26 -35.5 17.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.642 -0.708 . . . . 90.0 111.421 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.4 -29.96 16.78 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.571 -0.741 . . . . 90.0 111.133 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.522 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 42.8 mtt -73.2 -54.93 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.409 -1.701 . . . . 90.0 106.409 176.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 53.91 32.3 14.97 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.125 1.77 . . . . 90.0 112.538 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.5 p -102.97 -2.63 27.33 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-N 114.407 -1.27 . . . . 90.0 111.654 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.521 ' HG ' ' CD ' ' A' ' 112' ' ' GLU . 4.6 pp -135.72 -33.78 0.85 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.323 -0.551 . . . . 90.0 112.107 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.1 -33.8 59.05 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 109.786 -1.325 . . . . 90.0 109.786 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.39 -37.17 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.228 -0.486 . . . . 90.0 111.758 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.74 84.31 4.97 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.369 0.604 . . . . 90.0 110.533 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -154.95 95.08 1.71 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.055 -0.975 . . . . 90.0 108.613 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -143.1 157.65 44.33 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 106.782 -1.562 . . . . 90.0 106.782 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -104.16 -1.15 27.65 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.129 -0.693 . . . . 90.0 109.129 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.323 -0.853 . . . . 90.0 110.577 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.535 HM81 ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 120.632 0.253 . . . . 90.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -119.26 153.62 34.74 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 107.103 -1.443 . . . . 90.0 107.103 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.09 150.13 37.32 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 123.515 0.51 . . . . 90.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.68 154.8 40.54 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.644 -0.707 . . . . 90.0 109.438 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -70.67 -18.49 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 N-CA-C 113.243 0.831 . . . . 90.0 113.243 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.8 p 54.17 75.84 0.26 Allowed 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 124.891 1.276 . . . . 90.0 111.317 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 127.78 34.13 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.346 -0.983 . . . . 90.0 108.346 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -82.34 -15.35 53.16 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 115.115 -0.948 . . . . 90.0 112.04 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 97' ' ' ALA . . . 61.7 94.0 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 O-C-N 124.184 0.928 . . . . 90.0 112.644 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 -43.17 8.63 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-O 121.09 0.471 . . . . 90.0 111.931 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 -102.03 43.46 1.07 Allowed 'General case' 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -172.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 95' ' ' SER . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.581 ' HB3' HD13 ' A' ' 96' ' ' ILE . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 8.0 tm0? -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.518 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 72' ' ' VAL . 71.0 t60 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 78' ' ' HIS . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 21.7 m-70 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 88' ' ' VAL . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' HD2' ' OD2' ' A' ' 82' ' ' ASP 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.442 ' HA ' HG22 ' A' ' 17' ' ' VAL . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.583 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 34.5 m80 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.402 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -110.44 96.92 6.5 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.08 121.5 11.68 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.864 -1.902 . . . . 10.0 105.864 173.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m 66.17 174.03 0.23 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 124.468 1.105 . . . . 90.0 112.03 -175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 12.6 t -76.2 143.84 40.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.342 -1.355 . . . . 90.0 107.342 171.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 m -61.09 -38.67 87.09 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.06 0.457 . . . . 90.0 110.704 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.53 -81.38 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 119.802 -0.759 . . . . 90.0 110.195 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 110' ' ' CYS . . . 63.44 -2.29 0.49 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.686 1.194 . . . . 90.0 113.58 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.87 -34.53 77.99 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 122.96 0.504 . . . . 90.0 111.789 -172.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.78 -21.79 64.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.013 0.435 . . . . 90.0 110.881 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 120' ' ' LEU 0.324 5.3 ptm180 55.26 -0.11 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.229 2.307 . . . . 90.0 117.229 176.557 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 p -65.77 -12.87 57.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.423 1.089 . . . . 90.0 111.318 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.74 -24.3 66.72 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.707 1.203 . . . . 90.0 111.335 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.93 -1.2 1.71 Allowed Glycine 0 C--N 1.321 -0.289 0 C-N-CA 120.603 -0.808 . . . . 90.0 112.231 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 33.6 tp -84.08 -22.86 31.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.92 -0.77 . . . . 90.0 108.92 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.42 87.15 6.63 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.538 -0.912 . . . . 90.0 108.538 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.66 110.81 7.29 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 115.215 -0.902 . . . . 90.0 111.218 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.4 m -73.42 133.58 43.77 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 108.122 -1.066 . . . . 90.0 108.122 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 127.1 30.08 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 121.951 0.882 . . . . 90.0 110.664 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--N 1.272 -2.771 0 CA-C-N 113.247 -1.797 . . . . 90.0 111.186 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.534 HM82 ' HB3' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 107.191 -1.411 . . . . 90.0 107.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.89 148.47 46.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.807 -0.812 . . . . 90.0 108.807 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.89 131.06 48.51 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.809 -0.632 . . . . 90.0 111.553 -174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -111.66 157.25 20.67 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 107.888 -1.153 . . . . 90.0 107.888 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.33 -36.13 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 112.473 0.546 . . . . 90.0 112.473 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 p 47.49 -136.19 0.92 Allowed 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.146 0.978 . . . . 90.0 112.165 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mtp -83.68 105.53 14.67 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.995 -1.113 . . . . 90.0 107.995 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 p -72.15 -71.63 0.27 Allowed 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 123.262 0.351 . . . . 90.0 111.506 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.9 54.48 36.53 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 110.426 -1.07 . . . . 90.0 110.426 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 m -104.51 -139.32 0.36 Allowed 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.175 0.512 . . . . 90.0 110.594 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -98.25 51.12 1.01 Allowed 'General case' 0 CA--C 1.472 -2.058 0 C-N-CA 124.889 1.276 . . . . 10.0 110.725 -173.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 95' ' ' SER . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.676 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 67.1 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 65' ' ' LEU . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.441 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.539 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 67.9 t60 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.668 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 76' ' ' MET . 11.4 mm100 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.476 HH21 ' P ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.436 ' CD2' HM82 ' A' 1126 ' ' FAD . 0.0 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 23' ' ' SER . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.691 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' OE1' ' HA ' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 17' ' ' VAL . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.651 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 72.9 m80 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -70.32 -38.29 74.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' N ' ' SD ' ' A' ' 106' ' ' MET . 1.0 OUTLIER -99.54 83.42 2.79 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -165.63 98.83 0.68 Allowed 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.501 -1.666 . . . . 90.0 106.501 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t 72.24 -58.07 0.6 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.867 1.267 . . . . 90.0 108.571 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.4 m 57.41 -168.95 0.11 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 115.38 1.622 . . . . 90.0 115.38 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -91.01 166.31 13.07 Favored 'General case' 0 N--CA 1.417 -2.106 0 CA-C-N 114.766 -1.106 . . . . 90.0 111.462 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HA ' ' HD3' ' A' ' 116' ' ' ARG . . . -140.95 30.77 1.81 Allowed 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 103.178 -2.897 . . . . 90.0 103.178 168.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -101.8 -61.72 1.35 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.967 -2.378 . . . . 90.0 109.962 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.0 mmt -93.45 -59.94 1.89 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.553 -0.459 . . . . 90.0 111.581 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 113' ' ' ALA . 14.3 mmm180 65.74 -53.37 0.37 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.381 1.473 . . . . 90.0 113.258 -175.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 22.3 m -60.35 -4.07 0.78 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.088 1.144 . . . . 90.0 114.088 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.51 4.61 7.17 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.14 0.792 . . . . 90.0 113.14 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 123.73 -5.26 9.17 Favored Glycine 0 C--O 1.213 -1.16 0 C-N-CA 120.795 -0.717 . . . . 90.0 111.405 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.1 tp -100.56 10.55 41.03 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.915 -1.143 . . . . 90.0 107.915 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 117' ' ' SER . . . -74.34 87.04 2.0 Allowed 'General case' 0 N--CA 1.417 -2.109 0 CA-C-N 114.54 -1.209 . . . . 90.0 111.687 -177.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -75.62 -35.34 60.53 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.024 -1.843 . . . . 90.0 106.024 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 p -59.26 116.04 3.63 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 114.429 -1.26 . . . . 90.0 110.126 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.577 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -88.4 -0.9 57.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.201 0.524 . . . . 90.0 110.846 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.252 1.205 0 N-CA-C 108.673 -0.862 . . . . 90.0 108.673 178.273 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1126 ' ' FAD . . . . . 0.489 HO4' ' PA ' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' HD3' ' A' ' 69' ' ' PRO . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 61' ' ' PHE . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 34' ' ' LEU . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 6.5 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' PHE . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.617 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD22 ' SD ' ' A' ' 106' ' ' MET . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.617 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.593 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.1 t-80 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 17' ' ' VAL . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.539 ' HA ' ' HE2' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.528 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 66' ' ' GLU . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.593 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.517 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.651 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.775 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 13.9 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.521 HD22 ' HB2' ' A' ' 104' ' ' TRP . 5.4 m-20 -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.523 ' CA ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.651 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.3 t-80 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.559 HE21 HG22 ' A' ' 79' ' ' ILE . 28.5 mm-40 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.734 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.775 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.523 ' HA ' ' CA ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.518 ' SD ' HD11 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 . . . . . 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 95' ' ' SER . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.746 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.455 HD21 ' CA ' ' A' ' 84' ' ' ARG . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 3.4 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 65' ' ' LEU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' A' ' 54' ' ' LEU . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.664 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 50' ' ' LEU . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.5 t-80 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.527 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.695 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.746 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.645 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.559 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 96' ' ' ILE . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.794 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 61' ' ' PHE . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.661 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.614 ' HZ ' ' HG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.661 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.688 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.5 t-80 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HD12 ' A' ' 79' ' ' ILE . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.624 HE21 HG22 ' A' ' 79' ' ' ILE . 30.7 mm-40 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.49 ' HE1' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.794 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.63 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.688 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.523 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 . . . . . 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' HD13 ' A' ' 96' ' ' ILE . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.704 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 86' ' ' SER . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 5.1 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.443 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 72' ' ' VAL . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.3 t-80 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 65' ' ' LEU . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.602 HG23 ' HE1' ' A' ' 85' ' ' HIS . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.59 HE21 HG22 ' A' ' 79' ' ' ILE . 29.2 mm-40 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.693 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.693 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 23' ' ' SER . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.717 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.589 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.615 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 . . . . . 0 N--CA 1.385 -3.695 0 CA-C-O 121.92 0.866 . . . . 10.0 109.531 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 95' ' ' SER . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.615 ' OG ' HD13 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.79 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 106' ' ' MET . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 2.9 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HG2' ' CB ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.627 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.4 t-80 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.494 ' NE2' HD11 ' A' ' 90' ' ' ILE . 28.5 mm-40 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.414 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' CB ' HD21 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.721 HG21 HG23 ' A' ' 79' ' ' ILE 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.79 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 17' ' ' VAL . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.615 HD13 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 . . . . . 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 . . . . . 0 N--CA 1.419 -2.002 0 CA-C-O 121.893 0.854 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 95' ' ' SER . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.768 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.718 ' HG ' ' HB3' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' OG1' ' A' ' 30' ' ' THR . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.983 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' HH2' ' A' ' 104' ' ' TRP . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.521 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.0 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.72 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.1 t-80 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 65' ' ' LEU . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.715 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.532 HE21 HG22 ' A' ' 79' ' ' ILE . 28.9 mm-40 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.715 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.482 ' HB3' HD11 ' A' ' 37' ' ' ILE . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.768 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.714 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' VAL . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD12 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.594 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.503 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.682 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.72 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 . . . . . 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 . . . . . 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 95' ' ' SER . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.777 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HA ' HE21 ' A' ' 42' ' ' GLN . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.584 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 27.2 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.712 HD13 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.508 ' NE2' HD12 ' A' ' 54' ' ' LEU . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.3 t-80 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 85' ' ' HIS . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 79' ' ' ILE . 30.4 mm-40 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 88' ' ' VAL . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.777 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 17' ' ' VAL . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.604 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.712 ' SD ' HD13 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 . . . . . 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.518 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 . . . . . 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.793 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.552 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 84' ' ' ARG . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 34' ' ' LEU . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 1.7 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.665 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 31.9 t-80 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 HG21 ' A' ' 88' ' ' VAL . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.521 HE21 HG22 ' A' ' 79' ' ' ILE . 28.9 mm-40 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.649 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.485 ' HB3' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.649 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.589 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.793 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.562 ' HA ' HG22 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.548 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.595 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 . . . . . 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.671 ' HB2' HD13 ' A' ' 96' ' ' ILE . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 34' ' ' LEU . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.2 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.4 ' HB3' ' NE2' ' A' ' 107' ' ' GLN . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.53 ' NE2' ' HE1' ' A' ' 104' ' ' TRP . 10.3 tm0? -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.2 t-80 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.714 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.563 HG22 HE21 ' A' ' 80' ' ' GLN . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.563 HE21 HG22 ' A' ' 79' ' ' ILE . 32.3 mm-40 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HA ' HD21 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.54 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.738 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.764 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 18' ' ' SER . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.553 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.486 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 56' ' ' TYR . 13.7 pt20 . . . . . 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 . . . . . 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 95' ' ' SER . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.751 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 10.4 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.471 ' O ' HG22 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' HD23 ' A' ' 54' ' ' LEU . 36.4 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' HG2' ' A' ' 98' ' ' LYS . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.624 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 29.8 t-80 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 76' ' ' MET . 26.2 mm-40 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 38.0 m-80 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.624 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' HG3' ' HG ' ' A' ' 91' ' ' LEU . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.751 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' A' ' 89' ' ' GLU . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 17' ' ' VAL . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 . . . . . 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 95' ' ' SER . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.62 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.661 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.661 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 65' ' ' LEU . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.8 t-80 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG22 HE21 ' A' ' 80' ' ' GLN . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.645 HE21 HG22 ' A' ' 79' ' ' ILE . 25.0 mm-40 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HB3' HD21 ' A' ' 29' ' ' LEU . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.804 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' OG ' ' A' ' 18' ' ' SER . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.528 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 . . . . . 0 N--CA 1.411 -2.394 0 CA-C-O 122.166 0.984 . . . . 10.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 95' ' ' SER . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.678 ' HB2' HD13 ' A' ' 96' ' ' ILE . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.621 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 88' ' ' VAL . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 34' ' ' LEU . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 11.2 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.0 t-80 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.612 HE22 HG22 ' A' ' 88' ' ' VAL . 28.7 mm-40 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' ' HB ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 HE22 ' A' ' 80' ' ' GLN 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.703 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.431 ' HA ' HG22 ' A' ' 17' ' ' VAL . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 18' ' ' SER . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.534 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.577 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.818 ' CE1' HG23 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.657 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 65' ' ' LEU . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.709 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.707 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.5 t-80 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.689 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG23 HG21 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.569 HE21 HG22 ' A' ' 79' ' ' ILE . 28.8 mm-40 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.666 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 29' ' ' LEU . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.666 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.818 HG23 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.658 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.511 HD12 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' H ' ' CD ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.709 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.668 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.506 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' LEU . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 42' ' ' GLN . 9.9 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 65' ' ' LEU . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.561 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.2 t-80 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.649 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.655 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.655 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.659 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.629 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 . . . . . 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 . . . . . 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.655 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.678 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 6.4 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.678 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.671 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.6 t-80 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.716 HG22 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.499 ' CD ' HD11 ' A' ' 90' ' ' ILE . 24.9 mm-40 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.643 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.716 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.655 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.663 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 . . . . . 0 CA--C 1.479 -1.776 0 CA-C-O 121.826 0.822 . . . . 10.0 110.782 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 95' ' ' SER . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.639 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.77 ' CD1' HG23 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 34' ' ' LEU . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 12.4 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 65' ' ' LEU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 HD23 ' A' ' 50' ' ' LEU . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.563 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.0 t-80 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.621 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.7 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HB3' HD11 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.7 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.501 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.738 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 17' ' ' VAL . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.55 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.419 ' O ' ' HE1' ' A' ' 105' ' ' HIS . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.483 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.568 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 . . . . . 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 95' ' ' SER . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.55 ' O ' ' HD2' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.744 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.744 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 35' ' ' LEU . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 24.9 tm0? -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.693 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.527 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.8 t-80 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.559 HG23 ' CE1' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.505 HE21 HG22 ' A' ' 79' ' ' ILE . 28.7 mm-40 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.478 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HA ' HD22 ' A' ' 29' ' ' LEU . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.559 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.561 ' OD1' HD23 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.754 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 17' ' ' VAL . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 6.1 tp60 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 . . . . . 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 95' ' ' SER . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.581 ' HB3' HD13 ' A' ' 96' ' ' ILE . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.518 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 72' ' ' VAL . 32.9 t-80 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 78' ' ' HIS . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 21.7 m-70 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.625 HG22 HE21 ' A' ' 80' ' ' GLN . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 79' ' ' ILE . 25.2 mm-40 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' HD2' ' OD2' ' A' ' 82' ' ' ASP 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.442 ' HA ' HG22 ' A' ' 17' ' ' VAL . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.583 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 19.0 m-70 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.402 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER . . . . . 0 CA--C 1.472 -2.058 0 CA-C-O 122.255 1.026 . . . . 10.0 110.725 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 95' ' ' SER . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.676 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.439 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 9.7 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 65' ' ' LEU . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.539 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 24.7 t-80 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.668 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD2' ' HD2' ' A' ' 85' ' ' HIS 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 23' ' ' SER . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.691 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' OE1' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 17' ' ' VAL . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.651 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.6 m-70 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 107' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.513 -0.453 0 N-CA-C 108.965 -0.754 . . . . 90.0 108.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -117.2 146.49 43.21 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 109.359 -0.608 . . . . 90.0 109.359 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.69 137.37 35.42 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.113 0.483 . . . . 90.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.11 154.28 28.17 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.53 -0.544 . . . . 90.0 109.53 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.73 -20.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 N-CA-C 113.17 0.804 . . . . 90.0 113.17 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p 62.31 -159.18 0.32 Allowed 'General case' 0 C--O 1.246 0.878 0 C-N-CA 124.977 1.311 . . . . 90.0 111.634 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -73.72 90.9 1.86 Allowed 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 118.276 0.489 . . . . 90.0 111.471 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -113.46 100.4 8.5 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 121.768 0.794 . . . . 90.0 110.986 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -166.84 89.8 0.1 OUTLIER Glycine 0 N--CA 1.412 -2.931 0 N-CA-C 109.503 -1.439 . . . . 90.0 109.503 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.4 m -82.12 -39.7 22.93 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 120.892 0.377 . . . . 90.0 111.197 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -122.55 58.05 1.08 Allowed 'General case' 0 N--CA 1.394 -3.258 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -172.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.92 159.02 21.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 CA-C-N 114.704 -1.135 . . . . 10.0 107.947 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' HD3' ' A' ' 69' ' ' PRO . 24.6 t -150.25 148.77 15.02 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.503 0 N-CA-C 106.305 -1.739 . . . . 10.0 106.305 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 22.8 t -130.43 111.84 12.69 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.67 124.66 36.85 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 54.9 m -120.14 110.12 16.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.372 -1.344 . . . . 10.0 107.372 -174.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.73 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -117.08 158.28 24.46 Favored 'General case' 0 N--CA 1.433 -1.298 0 C-N-CA 118.153 -1.419 . . . . 10.0 113.303 -172.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 2.5 tmm_? -118.66 124.96 48.65 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.144 -1.428 . . . . 10.0 107.144 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 61' ' ' PHE . 13.2 t -135.59 168.7 18.76 Favored 'General case' 0 N--CA 1.426 -1.665 0 O-C-N 121.711 -0.618 . . . . 10.0 109.931 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 22' ' ' ARG . 2.3 mm? -125.6 38.32 4.19 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.407 0.891 . . . . 10.0 113.407 -174.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 23.87 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 126.411 1.884 . . . . 10.0 115.106 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.93 97.77 Favored Pre-proline 0 N--CA 1.434 -1.228 0 C-N-CA 119.353 -0.939 . . . . 10.0 111.173 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.43 -6.34 6.79 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 124.512 3.475 . . . . 10.0 113.261 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.32 -11.1 55.46 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 125.193 1.397 . . . . 10.0 109.75 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 84' ' ' ARG . 43.7 mt -74.99 142.11 43.9 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 115.153 -0.931 . . . . 10.0 112.768 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p -117.03 155.65 28.85 Favored 'General case' 0 N--CA 1.395 -3.176 0 CA-C-N 114.35 -1.295 . . . . 10.0 109.072 171.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -55.74 -37.76 68.88 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 173.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -66.07 -32.75 74.4 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 117.993 -1.483 . . . . 10.0 110.016 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.9 -41.98 90.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.338 -0.986 . . . . 10.0 108.338 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -64.62 -41.83 95.92 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 119.419 -0.913 . . . . 10.0 110.711 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.2 mm? -68.76 -27.32 65.8 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.924 -1.035 . . . . 10.0 111.617 -176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.086 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HM83 ' A' 1126 ' ' FAD . 29.0 mt -51.66 -55.05 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.977 0.911 . . . . 10.0 110.596 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.9 p -54.09 -50.42 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 26.3 mm-40 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.169 0.803 . . . . 10.0 113.169 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -74.16 -33.16 63.4 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 120.002 -0.679 . . . . 10.0 111.879 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -69.63 -40.95 76.26 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.908 -0.495 . . . . 10.0 112.322 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 6.5 mt-30 -57.84 -44.98 86.85 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-O 121.234 0.54 . . . . 10.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.13 96.19 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.574 -1.194 . . . . 10.0 110.763 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -70.94 -44.21 66.59 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.688 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -62.25 -41.31 98.32 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.43 87.97 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -70.1 -50.62 39.06 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.696 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.52 -6.96 49.8 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 113.404 0.891 . . . . 10.0 113.404 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 76.99 23.76 0.93 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.648 1.214 . . . . 10.0 111.07 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 10.9 mp -92.3 132.23 36.87 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.293 -1.776 . . . . 10.0 113.226 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' PHE . 31.6 p -114.43 149.2 36.6 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.974 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.39 178.36 41.48 Favored Glycine 0 N--CA 1.419 -2.436 0 C-N-CA 118.74 -1.695 . . . . 10.0 114.687 -168.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.617 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -165.42 166.95 18.12 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 113.632 -1.284 . . . . 10.0 107.958 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD22 ' SD ' ' A' ' 106' ' ' MET . 3.3 tt -142.3 134.79 27.99 Favored 'General case' 0 C--N 1.289 -2.025 0 O-C-N 123.443 0.464 . . . . 10.0 110.851 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.23 114.05 25.46 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.7 t80 -127.75 119.55 26.01 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.362 -1.348 . . . . 10.0 107.362 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 60' ' ' VAL . 29.1 m -158.42 144.22 16.86 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 65.08 17.79 11.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.397 0.435 . . . . 10.0 112.044 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.44 5.82 89.62 Favored Glycine 0 C--O 1.222 -0.649 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.586 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 57' ' ' SER . 8.8 m -104.95 146.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 C-N-CA 119.68 -0.808 . . . . 10.0 109.444 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 7.3 m-85 -111.34 127.85 55.78 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.066 -0.97 . . . . 10.0 112.274 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -121.59 115.16 22.26 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 105.718 -1.956 . . . . 10.0 105.718 161.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.25 135.86 34.34 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 -173.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.617 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 p90 -142.23 164.06 31.18 Favored 'General case' 0 N--CA 1.416 -2.171 0 C-N-CA 118.728 -1.189 . . . . 10.0 110.145 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -140.16 133.09 29.29 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.203 -175.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.593 ' OE2' ' HD3' ' A' ' 100' ' ' ARG . 32.7 mt-10 -109.07 124.56 50.95 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.75 176.98 42.29 Favored Glycine 0 C--N 1.288 -2.115 0 C-N-CA 120.085 -1.055 . . . . 10.0 111.553 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.1 t-80 -68.48 128.56 93.02 Favored Pre-proline 0 C--O 1.198 -1.612 0 N-CA-C 107.543 -1.28 . . . . 10.0 107.543 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 17' ' ' VAL . 5.8 Cg_exo -31.04 -58.14 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.779 1 C-N-CA 126.117 4.545 . . . . 10.0 116.751 -170.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -23.31 62.98 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 114.0 1.111 . . . . 10.0 114.0 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.91 68.8 Favored 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -62.98 -43.48 99.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.598 0 CA-C-N 113.886 -1.506 . . . . 10.0 107.81 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.75 -35.49 70.13 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.87 -46.43 87.81 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 106.615 -1.624 . . . . 10.0 106.615 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 79' ' ' ILE . 38.6 t -59.67 -52.36 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 CA-C-N 114.656 -1.156 . . . . 10.0 110.925 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.539 ' HA ' ' HE2' ' A' ' 76' ' ' MET . 3.3 mmt -49.99 -52.19 35.86 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 118.655 0.662 . . . . 10.0 112.25 176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 16.2 m -62.31 -31.89 72.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.854 0.297 . . . . 10.0 111.644 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -74.98 -32.02 61.57 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.463 -0.495 . . . . 10.0 111.654 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 75' ' ' VAL . 7.2 mt -84.2 -48.45 16.92 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 120.315 -0.554 . . . . 10.0 110.702 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 90' ' ' ILE . 86.3 mm-40 -60.77 -0.73 0.31 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.446 1.647 . . . . 10.0 115.446 -174.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' SER . 12.0 mmt180 -97.35 17.04 18.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.304 0.573 . . . . 10.0 109.976 171.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.66 -147.16 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 126.024 1.73 . . . . 10.0 114.859 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 154.23 -19.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.256 2.622 . . . . 10.0 105.284 -167.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 29' ' ' LEU . 66.1 mtt180 -58.04 -64.3 0.96 Allowed 'General case' 0 C--O 1.186 -2.25 0 CA-C-N 112.924 -1.944 . . . . 10.0 113.224 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -101.93 100.55 10.86 Favored 'General case' 0 C--N 1.27 -2.881 0 C-N-CA 124.123 0.969 . . . . 10.0 110.679 -173.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.352 7.9 m -5.59 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 1 N-CA-C 121.975 4.065 . . . . 10.0 121.975 -167.997 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -134.36 -25.5 1.52 Allowed 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.389 11.3 p 35.19 70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.278 -2.536 0 N-CA-C 115.48 1.659 . . . . 10.0 115.48 -166.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -85.43 86.17 7.39 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.73 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 10.6 mm -48.24 -72.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.482 -1.671 0 N-CA-C 106.251 -1.759 . . . . 10.0 106.251 171.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt 58.69 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.527 0 C-N-CA 126.379 1.872 . . . . 10.0 114.312 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.45 113.33 13.58 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -133.45 110.43 9.98 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -130.31 138.57 50.52 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.692 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 23.3 t -75.66 119.69 20.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.115 0.483 . . . . 10.0 110.255 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 66' ' ' GLU . 19.9 pt -115.69 173.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.498 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -97.28 -23.13 16.29 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-O 122.514 1.149 . . . . 10.0 110.804 176.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 1.8 ttmt 55.97 174.36 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.359 0 CA-C-N 111.63 -2.532 . . . . 10.0 112.569 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.1 tpp180 152.45 -31.08 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.529 1.932 . . . . 10.0 108.386 175.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.593 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 60.1 mtp180 -43.97 -50.31 8.26 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 127.512 2.325 . . . . 10.0 113.723 -175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 70.9 m-85 -126.1 155.67 41.24 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 120.676 -0.41 . . . . 10.0 110.041 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -6.45 11.02 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.81 157.03 27.02 Favored Glycine 0 N--CA 1.424 -2.152 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 22.2 t90 -86.29 143.38 27.93 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.162 0.585 . . . . 10.0 110.172 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . 78.1 m80 -121.14 158.37 28.09 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 122.776 0.43 . . . . 10.0 111.042 -175.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.517 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -146.46 138.76 25.04 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.171 -1.788 . . . . 10.0 106.171 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -77.02 -42.97 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.298 -0.561 . . . . 10.0 110.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.29 120.88 20.45 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.788 0.804 . . . . 10.0 111.496 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -131.57 -159.41 0.96 Allowed 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.513 -1.662 . . . . 90.0 106.513 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 75.7 m -67.42 89.61 0.22 Allowed 'General case' 0 C--O 1.252 1.213 0 N-CA-C 108.702 -0.851 . . . . 90.0 108.702 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 m 71.39 169.47 0.32 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.106 1.763 . . . . 90.0 109.524 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.52 -30.96 8.34 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 116.06 -0.518 . . . . 90.0 110.959 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.89 116.44 0.06 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 126.802 2.041 . . . . 90.0 112.648 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 t70 75.64 -38.93 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.614 1.709 . . . . 90.0 115.614 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ptm -80.83 1.41 30.72 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.831 0.824 . . . . 90.0 111.046 -176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.84 -27.06 39.39 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.411 1.484 . . . . 90.0 113.123 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 p -69.95 -10.67 59.38 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.244 0.545 . . . . 90.0 111.238 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.67 9.27 43.68 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.959 -0.564 . . . . 90.0 111.655 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.73 -47.89 0.19 Allowed Glycine 0 C--O 1.238 0.4 0 C-N-CA 119.148 -1.501 . . . . 90.0 113.992 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.73 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.307 0.575 . . . . 90.0 110.407 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.17 77.88 1.71 Allowed 'General case' 0 N--CA 1.413 -2.286 0 CA-C-N 115.508 -0.769 . . . . 90.0 109.695 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.67 -51.21 29.25 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.405 -0.816 . . . . 90.0 111.097 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.4 m -143.59 168.6 19.49 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.619 -0.511 . . . . 90.0 109.619 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -99.54 -54.17 3.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.603 0.565 . . . . 90.0 110.787 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.362 -0.977 . . . . 90.0 108.362 -175.395 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.57 HM83 HD13 ' A' ' 37' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.237 0.421 0 N-CA-C 109.879 -0.415 . . . . 90.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.21 150.68 26.36 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 108.063 -1.088 . . . . 90.0 108.063 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.89 148.69 47.51 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 123.524 0.515 . . . . 90.0 110.458 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.86 138.4 38.91 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.225 -0.443 . . . . 90.0 111.298 -174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.84 5.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.145 1.165 . . . . 90.0 114.145 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' HG23 ' A' ' 12' ' ' THR . 36.2 p 70.65 -170.88 0.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.579 1.951 . . . . 90.0 111.835 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -83.89 13.83 4.57 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.059 -0.401 . . . . 90.0 111.883 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' OG1' ' A' ' 10' ' ' THR . 18.4 p -49.43 131.86 20.63 Favored 'General case' 0 C--O 1.252 1.193 0 N-CA-C 115.178 1.547 . . . . 90.0 115.178 -173.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.5 140.67 11.5 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 107.338 -2.305 . . . . 90.0 107.338 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -89.84 -62.74 1.4 Allowed 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 114.218 1.192 . . . . 90.0 114.218 -172.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 2.2 p-10 -112.84 53.12 0.76 Allowed 'General case' 0 N--CA 1.409 -2.488 0 CA-C-O 122.028 0.918 . . . . 10.0 113.328 -167.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 1.5 mm? -119.52 151.99 37.7 Favored 'General case' 0 N--CA 1.397 -3.114 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.584 172.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.84 151.51 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.545 0 C-N-CA 124.823 1.249 . . . . 10.0 108.419 -174.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 37.1 m -129.37 113.41 14.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 124.261 1.024 . . . . 10.0 111.245 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -93.43 123.15 36.53 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 106.166 -1.79 . . . . 10.0 106.166 170.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.651 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 56.2 m -115.35 106.9 14.54 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 -173.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.775 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.1 p90 -122.12 170.26 10.04 Favored 'General case' 0 N--CA 1.419 -2.025 0 C-N-CA 119.281 -0.968 . . . . 10.0 113.085 -168.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -123.86 161.81 24.56 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.437 -1.256 . . . . 10.0 109.155 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 74.9 m -153.04 156.23 38.38 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 108.059 -1.089 . . . . 10.0 108.059 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.06 53.93 0.68 Allowed 'General case' 0 C--N 1.26 -3.314 0 C-N-CA 119.555 -0.858 . . . . 10.0 110.389 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -1.69 110.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 127.046 2.139 . . . . 10.0 114.694 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -61.41 123.67 77.39 Favored Pre-proline 0 N--CA 1.402 -2.827 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.812 -173.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 52.7 Cg_endo -64.63 -1.21 3.74 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 123.848 3.032 . . . . 10.0 112.299 175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.51 -16.48 48.54 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 125.254 1.422 . . . . 10.0 110.143 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.08 167.22 18.05 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.827 -175.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -105.8 177.15 4.94 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.798 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 35' ' ' LEU . 48.9 tp -70.26 -39.01 75.24 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 6.9 tpt180 -71.23 -21.28 62.14 Favored 'General case' 0 C--O 1.194 -1.864 0 C-N-CA 116.995 -1.882 . . . . 10.0 109.129 -176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -45.03 95.97 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.2 mm? -74.6 -38.75 62.51 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.515 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 2.8 mm? -71.2 -19.08 62.43 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.555 -1.202 . . . . 10.0 111.418 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.34 -44.24 16.43 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.663 172.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 34' ' ' LEU . 30.9 mt -51.85 -51.43 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 115.083 -0.962 . . . . 10.0 110.524 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.36 -44.4 75.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.652 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 43.1 mt-10 -61.8 -55.52 29.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 122.566 0.346 . . . . 10.0 111.117 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 t -67.4 -35.92 80.27 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.777 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -64.74 -49.05 72.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.104 0.162 . . . . 10.0 110.8 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 13.9 mt-30 -59.74 -46.76 88.15 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-O 121.029 0.443 . . . . 10.0 111.498 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.73 96.51 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.685 -1.143 . . . . 10.0 112.09 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.29 -37.62 63.63 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.521 HD22 ' HB2' ' A' ' 104' ' ' TRP . 5.4 m-20 -63.99 -44.71 91.84 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.44 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 10.0 109.436 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -70.15 -47.65 60.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.969 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.73 -6.56 51.17 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 72.09 22.38 3.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.514 1.126 . . . . 10.0 109.967 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.8 mp -87.91 134.16 33.77 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.101 -1.863 . . . . 10.0 111.449 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 53.0 p -115.28 160.8 19.33 Favored 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.523 ' CA ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.29 178.21 42.01 Favored Glycine 0 CA--C 1.485 -1.815 0 C-N-CA 118.779 -1.677 . . . . 10.0 113.984 -167.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.9 163.43 4.08 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.734 -1.209 . . . . 10.0 107.734 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.0 pp -155.1 155.55 34.22 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.222 -0.591 . . . . 10.0 111.143 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -121.15 112.25 18.44 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.682 -1.599 . . . . 10.0 106.682 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -125.42 120.41 30.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 105.999 -1.852 . . . . 10.0 105.999 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -158.19 144.03 17.03 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.361 -1.348 . . . . 10.0 107.361 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 67.82 -2.46 1.4 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 114.623 1.342 . . . . 10.0 114.623 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.03 -8.72 27.28 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.569 -0.612 . . . . 10.0 111.569 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.03 138.87 19.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 120.003 -0.679 . . . . 10.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -102.9 130.39 49.92 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.742 177.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -127.06 117.29 22.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 105.377 -2.083 . . . . 10.0 105.377 164.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.488 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.4 OUTLIER -138.08 130.3 28.9 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 -172.065 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.651 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -140.12 158.56 43.85 Favored 'General case' 0 N--CA 1.42 -1.926 0 C-N-CA 119.176 -1.01 . . . . 10.0 109.73 176.306 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -140.87 151.69 44.5 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.707 0.289 . . . . 10.0 110.966 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 29.6 mt-10 -112.54 124.49 52.63 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.559 -1.645 . . . . 10.0 106.559 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.12 175.64 42.84 Favored Glycine 0 C--N 1.289 -2.069 0 C-N-CA 119.283 -1.437 . . . . 10.0 111.442 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.3 t-80 -69.05 130.24 91.54 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 173.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -35.26 -44.83 0.59 Allowed 'Trans proline' 0 C--N 1.373 1.866 1 C-N-CA 126.05 4.5 . . . . 10.0 116.395 -171.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.39 -27.23 60.55 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.1 69.41 Favored 'General case' 0 C--N 1.285 -2.238 0 N-CA-C 107.692 -1.225 . . . . 10.0 107.692 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.74 -41.42 90.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 CA-C-N 113.408 -1.723 . . . . 10.0 107.466 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -31.42 65.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 1.7 p -74.24 -39.24 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.69 0 C-N-CA 119.146 -1.022 . . . . 10.0 109.956 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.5 mmt -52.94 -51.32 61.78 Favored 'General case' 0 C--O 1.189 -2.118 0 CA-C-N 119.597 1.089 . . . . 10.0 111.844 175.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -62.12 -38.54 89.32 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 120.873 0.368 . . . . 10.0 110.684 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.96 -47.19 63.28 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.872 0.844 . . . . 10.0 109.672 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 5.2 mt -66.82 -45.68 87.16 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.065 0 C-N-CA 126.373 1.869 . . . . 10.0 114.005 -176.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.559 HE21 HG22 ' A' ' 79' ' ' ILE . 28.5 mm-40 -66.92 -11.49 56.39 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 121.016 -1.052 . . . . 10.0 113.182 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -112.88 25.84 11.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.222 172.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.734 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -84.66 -160.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -165.85 -33.95 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.545 2.338 . . . . 10.0 109.956 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HG3' H5'1 ' A' 1126 ' ' FAD . 37.5 mmm-85 -76.37 15.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.101 1.36 . . . . 10.0 111.524 -175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 130.59 1.19 Allowed 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 125.978 1.711 . . . . 10.0 106.676 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -49.99 -46.07 52.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 116.522 2.045 . . . . 10.0 116.522 -164.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -134.5 -35.5 0.9 Allowed 'General case' 0 C--N 1.283 -2.306 0 CA-C-O 121.807 0.813 . . . . 10.0 113.015 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.446 12.3 p 41.56 83.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.264 -3.112 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -168.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.48 95.6 6.03 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 113.496 -1.683 . . . . 10.0 108.378 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.775 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.8 mm -45.82 -67.57 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.82 0 CA-C-N 114.265 -1.334 . . . . 10.0 108.525 174.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.5 mt 68.46 -26.24 0.14 Allowed 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 125.531 1.533 . . . . 10.0 113.227 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -134.93 125.29 26.4 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 122.673 0.389 . . . . 10.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.81 111.64 10.07 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.555 -1.646 . . . . 10.0 106.555 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -128.84 144.39 51.16 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -177.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.3 m -79.59 130.81 35.71 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 98' ' ' LYS . 12.4 pt -122.04 175.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 114.386 1.254 . . . . 10.0 114.386 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.61 -8.89 20.58 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.428 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 55.21 -164.68 0.12 Allowed 'General case' 0 N--CA 1.392 -3.362 0 CA-C-N 112.224 -2.262 . . . . 10.0 111.835 -175.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 77.85 21.29 0.95 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.795 1.238 . . . . 10.0 109.012 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -84.36 -54.26 4.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.786 -1.097 . . . . 10.0 110.203 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.8 m-85 -109.35 -12.56 14.73 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.56 -16.22 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.314 0 C-N-CA 125.897 1.679 . . . . 10.0 115.501 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.55 164.99 30.4 Favored Glycine 0 C--N 1.286 -2.206 0 N-CA-C 107.246 -2.341 . . . . 10.0 107.246 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.523 ' HA ' ' CA ' ' A' ' 52' ' ' GLY . 32.7 t90 -84.45 142.49 30.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 119.082 1.441 . . . . 10.0 109.21 175.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -128.66 139.09 52.42 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.036 -0.665 . . . . 10.0 112.319 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.518 ' SD ' HD11 ' A' ' 54' ' ' LEU . 19.2 tpp -107.58 136.98 46.44 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 173.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -76.79 -37.8 55.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 120.927 0.394 . . . . 10.0 111.434 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.52 -79.64 0.14 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.929 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 m 68.77 -40.92 0.45 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.313 1.445 . . . . 90.0 112.225 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.9 p -166.31 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 124.553 1.141 . . . . 90.0 109.227 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 p 54.08 62.67 2.49 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 122.298 1.047 . . . . 90.0 110.318 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 115' ' ' MET . 44.7 mt-10 66.72 -72.86 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.649 1.98 . . . . 90.0 111.296 -175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 69.19 14.67 8.66 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 126.156 1.782 . . . . 90.0 109.763 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -104.82 -70.16 0.78 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.433 -1.258 . . . . 90.0 109.697 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . 56.1 ttp -76.41 -51.79 11.15 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 107.947 -1.131 . . . . 90.0 107.947 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 69.8 -4.12 1.53 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.842 0.857 . . . . 90.0 113.288 173.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 m -70.45 3.69 2.84 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.211 1.004 . . . . 90.0 111.961 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.86 1.22 15.61 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.752 -0.658 . . . . 90.0 112.432 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.8 -27.6 2.68 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.504 -0.855 . . . . 90.0 112.442 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.18 -49.78 63.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.84 89.32 2.96 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 114.841 -1.072 . . . . 90.0 109.126 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -94.58 -32.36 13.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.2 m 68.83 104.59 0.05 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.736 -1.12 . . . . 90.0 112.752 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.667 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -52.62 -21.34 3.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.91 1.284 . . . . 90.0 112.598 175.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.672 ' HA ' HE21 ' A' ' 125' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.425 -0.954 . . . . 90.0 108.425 176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.522 H5'1 ' HG3' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 109.166 -0.679 . . . . 90.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -102.44 166.16 10.7 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.38 133.16 20.17 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 123.876 0.87 . . . . 90.0 111.884 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.6 166.88 12.28 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.032 -0.985 . . . . 90.0 108.607 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.4 m -60.7 -27.21 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 112.557 0.577 . . . . 90.0 112.557 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.5 p 57.48 -162.8 0.2 Allowed 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.719 1.208 . . . . 90.0 113.684 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.5 mtm -82.17 169.43 16.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 90.0 112.176 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.3 p 69.35 -15.99 0.26 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.044 2.138 . . . . 90.0 114.68 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 -98.41 0.44 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 108.999 -1.64 . . . . 90.0 108.999 -174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -177.89 -77.85 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 121.07 0.462 . . . . 90.0 110.99 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -114.87 49.48 1.04 Allowed 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 -169.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -119.32 147.86 43.83 Favored 'General case' 0 C--N 1.252 -3.639 0 CA-C-N 114.699 -1.137 . . . . 10.0 108.22 171.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 95' ' ' SER . 41.3 t -149.44 149.93 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.562 0 C-N-CA 125.514 1.526 . . . . 10.0 107.058 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 85.2 p -126.56 132.16 51.39 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 29.7 p -99.94 119.69 38.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 61.3 m -106.92 109.81 21.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 106.263 -1.754 . . . . 10.0 106.263 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.746 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.7 p90 -127.95 161.14 29.8 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 118.621 -1.232 . . . . 10.0 112.369 -173.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.36 162.65 21.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.702 -1.136 . . . . 10.0 108.666 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 55.5 m -151.01 159.92 44.26 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 107.948 -1.13 . . . . 10.0 107.948 170.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.85 69.84 0.7 Allowed 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.956 -0.698 . . . . 10.0 109.216 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -23.99 124.93 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 126.471 1.908 . . . . 10.0 113.492 -171.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.18 131.01 74.92 Favored Pre-proline 0 N--CA 1.419 -2.011 0 O-C-N 123.678 0.611 . . . . 10.0 112.45 -173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.6 Cg_endo -63.06 -3.33 4.69 Favored 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 124.144 3.229 . . . . 10.0 113.817 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -110.35 19.37 18.9 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.845 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD21 ' CA ' ' A' ' 84' ' ' ARG . 57.0 mt -75.57 143.0 42.63 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 115.36 1.615 . . . . 10.0 115.36 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.83 142.99 33.02 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-N 111.824 -2.444 . . . . 10.0 110.987 176.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.3 tp -56.08 -42.04 76.08 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.787 0.835 . . . . 10.0 110.773 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.41 -32.3 66.73 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.128 -0.629 . . . . 10.0 110.466 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -63.23 -38.49 91.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.034 176.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.8 -36.25 64.99 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 119.02 -1.072 . . . . 10.0 108.642 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -69.79 -22.99 63.27 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.763 -1.562 . . . . 10.0 111.266 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -80.12 -51.49 8.93 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.503 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -45.98 -54.4 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 124.32 1.012 . . . . 10.0 111.624 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.5 p -53.74 -46.47 62.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 O-C-N 123.449 0.468 . . . . 10.0 111.758 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 9.0 mm-40 -70.84 -44.95 65.41 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.042 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.3 m -60.47 -38.92 85.76 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.199 0.524 . . . . 10.0 110.76 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HA ' ' O4 ' ' A' 1126 ' ' FAD . 41.9 m -62.89 -54.68 34.95 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.046 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 3.4 mt-30 -54.2 -49.78 68.58 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 123.306 0.379 . . . . 10.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.38 81.78 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 123.984 0.802 . . . . 10.0 112.989 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -83.25 -43.47 16.03 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 119.0 -1.08 . . . . 10.0 110.661 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.17 -38.24 75.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.56 77.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -50.0 20.18 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.619 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.38 -1.52 41.61 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.0 40.39 0.73 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.674 1.19 . . . . 10.0 111.635 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 65' ' ' LEU . 9.8 mp -99.71 125.24 45.56 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 113.377 -1.738 . . . . 10.0 110.946 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -109.33 149.03 30.07 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.02 178.53 41.21 Favored Glycine 0 CA--C 1.488 -1.622 0 C-N-CA 118.381 -1.866 . . . . 10.0 115.744 -164.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -157.55 142.6 16.86 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-N 114.071 -1.065 . . . . 10.0 108.404 172.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 106' ' ' MET . 2.9 tm? -120.42 122.46 40.77 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -112.48 107.78 16.66 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.294 0.568 . . . . 10.0 109.582 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.99 118.56 27.28 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.932 -2.247 . . . . 10.0 104.932 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -152.51 108.42 3.35 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 62.57 76.03 0.38 Allowed 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.886 1.274 . . . . 10.0 111.877 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.97 -43.72 2.24 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 115.089 0.796 . . . . 10.0 115.089 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 m -82.46 127.7 39.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 O-C-N 121.699 -0.883 . . . . 10.0 112.838 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -96.17 139.21 32.67 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.853 -1.067 . . . . 10.0 110.453 173.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -139.08 119.25 13.56 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 169.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' A' ' 54' ' ' LEU . 25.2 tp60 -138.99 130.07 26.6 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.664 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -140.04 158.96 43.23 Favored 'General case' 0 N--CA 1.416 -2.149 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 172.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 50' ' ' LEU . 2.6 pp -148.32 141.2 24.73 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.541 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.1 mt-10 -95.52 125.14 39.92 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.08 175.51 42.25 Favored Glycine 0 C--N 1.292 -1.874 0 C-N-CA 119.54 -1.314 . . . . 10.0 110.948 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.5 t-80 -69.51 131.75 89.78 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 107.551 -1.277 . . . . 10.0 107.551 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.0 Cg_exo -34.88 -46.05 0.56 Allowed 'Trans proline' 0 C--N 1.373 1.834 1 C-N-CA 126.126 4.55 . . . . 10.0 116.581 -171.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.62 -21.55 44.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -72.14 -38.26 69.25 Favored 'General case' 0 C--N 1.271 -2.807 0 N-CA-C 107.257 -1.386 . . . . 10.0 107.257 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.7 t -64.37 -47.57 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.977 0 CA-C-N 112.576 -2.102 . . . . 10.0 107.874 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -35.66 74.13 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 113.048 0.759 . . . . 10.0 113.048 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.56 -34.96 78.0 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -73.9 -43.19 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.427 0 C-N-CA 118.671 -1.211 . . . . 10.0 107.954 175.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.4 mmt -52.14 -52.79 49.53 Favored 'General case' 0 C--O 1.198 -1.621 0 CA-C-N 118.247 0.476 . . . . 10.0 111.435 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.3 p -55.87 -40.69 73.28 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.04 0.448 . . . . 10.0 111.8 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -80.06 -29.06 39.14 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 27.1 mt -90.66 -25.54 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 O-C-N 122.001 -0.437 . . . . 10.0 111.647 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -73.23 -24.86 60.54 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.424 0.63 . . . . 10.0 111.062 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -85.63 25.34 1.08 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.552 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 32.7 t70 -86.5 -148.74 0.14 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.772 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.527 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 15.6 ptt180 175.75 -32.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.032 0.933 . . . . 10.0 110.127 -162.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HD3' ' OD2' ' A' ' 33' ' ' ASP . 23.3 mtt180 -70.36 -44.18 68.66 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 123.248 1.499 . . . . 10.0 107.868 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -93.79 102.69 14.83 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 107.429 -1.323 . . . . 10.0 107.429 173.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.695 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 1.6 m -44.06 -13.83 0.02 OUTLIER 'General case' 0 C--N 1.255 -3.532 1 N-CA-C 121.878 4.029 . . . . 10.0 121.878 -168.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -144.36 -51.87 0.3 Allowed 'General case' 0 CA--C 1.462 -2.421 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.525 12.0 p 45.54 69.88 0.1 Allowed 'Isoleucine or valine' 1 C--N 1.239 -4.231 0 CA-C-N 112.633 -2.076 . . . . 10.0 115.868 -167.639 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 29.0 mt-10 -93.6 88.79 6.0 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-N 112.386 -2.188 . . . . 10.0 108.676 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.746 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.3 mm -51.09 -73.45 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.519 0 N-CA-C 106.063 -1.828 . . . . 10.0 106.063 169.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.8 mt 62.84 -13.62 0.07 Allowed 'General case' 0 C--N 1.275 -2.662 0 C-N-CA 125.619 1.568 . . . . 10.0 112.747 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -139.26 113.03 8.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 121.312 0.577 . . . . 10.0 110.589 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -125.92 111.04 14.33 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -122.9 143.27 50.0 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.7 m -69.95 126.94 31.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.1 pt -120.32 166.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.38 -8.4 32.57 Favored 'General case' 0 CA--C 1.458 -2.586 0 CA-C-N 114.678 -1.146 . . . . 10.0 109.199 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' HA ' HD12 ' A' ' 96' ' ' ILE . 7.2 tmtt? 58.11 -170.66 0.11 Allowed 'General case' 1 N--CA 1.373 -4.285 0 CA-C-N 111.736 -2.484 . . . . 10.0 111.894 -176.302 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 6.2 tpm_? 82.23 48.01 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.026 1.33 . . . . 10.0 110.369 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -101.51 -66.37 0.92 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 114.391 -1.277 . . . . 10.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -101.83 -17.96 15.96 Favored 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.941 1.46 . . . . 10.0 114.941 -172.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 68.58 -22.29 0.14 Allowed 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 125.253 1.421 . . . . 10.0 114.757 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.19 159.72 28.51 Favored Glycine 0 C--N 1.286 -2.211 0 N-CA-C 107.574 -2.21 . . . . 10.0 107.574 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.645 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 21.2 t90 -82.05 133.12 35.27 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.897 1.349 . . . . 10.0 110.815 177.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 91.2 m-70 -123.31 106.88 11.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.786 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.559 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 25.9 ttt -83.69 123.51 29.91 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.273 -0.971 . . . . 10.0 109.133 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -85.25 -28.39 25.4 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.935 -0.306 . . . . 10.0 111.349 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.9 tp -86.37 77.76 9.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 106.874 -1.528 . . . . 10.0 106.874 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.0 t -161.71 130.32 4.35 Favored 'General case' 0 N--CA 1.411 -2.389 0 N-CA-C 104.788 -2.301 . . . . 90.0 104.788 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 65.3 m 57.35 54.08 6.99 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.103 0.877 . . . . 90.0 110.782 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -79.99 80.52 6.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.989 -0.745 . . . . 90.0 108.989 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.417 1.2 pp20? 49.76 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.79 2.036 . . . . 90.0 113.391 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 51.64 21.24 1.27 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.478 1.511 . . . . 90.0 111.773 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -136.12 -35.85 0.76 Allowed 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.763 -0.653 . . . . 90.0 109.296 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 21.1 ttt -78.65 -34.58 46.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.574 -2.01 . . . . 90.0 105.574 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.7 mtm-85 72.01 23.12 3.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.381 1.873 . . . . 90.0 112.275 171.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -84.77 -18.93 33.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.241 -0.891 . . . . 90.0 110.49 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.37 4.72 1.6 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.459 0.911 . . . . 90.0 113.459 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 112.77 1.3 25.76 Favored Glycine 0 C--N 1.302 -1.311 0 C-N-CA 120.244 -0.979 . . . . 90.0 112.4 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.411 HD13 ' HG2' ' A' ' 116' ' ' ARG . 5.3 tt -70.1 -53.17 18.56 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.245 -1.391 . . . . 90.0 107.245 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.1 87.92 4.34 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 107.637 -1.246 . . . . 90.0 107.637 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -149.53 -173.62 4.45 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 103.819 -2.66 . . . . 90.0 103.819 -177.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.456 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 17.3 p -110.2 164.2 12.88 Favored 'General case' 0 C--N 1.275 -2.671 0 N-CA-C 109.804 -0.443 . . . . 90.0 109.804 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.12 130.44 10.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.864 -1.161 . . . . 90.0 107.864 175.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.282 -2.329 0 N-CA-C 109.589 -0.523 . . . . 90.0 109.589 -179.656 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.736 ' H2A' ' O2 ' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 106.35 -1.722 . . . . 90.0 106.35 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.16 147.49 22.89 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.459 -0.571 . . . . 90.0 109.459 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.43 145.46 36.12 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.066 0.46 . . . . 90.0 110.834 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -129.62 137.03 50.46 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.148 -1.056 . . . . 90.0 108.148 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.75 -9.14 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.332 0 CA-C-O 120.901 0.381 . . . . 90.0 111.566 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 p 64.64 22.19 12.57 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.216 1.806 . . . . 90.0 113.788 174.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -89.23 122.53 32.6 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-O 121.605 0.717 . . . . 90.0 112.245 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.0 p -105.57 -5.01 20.52 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.627 1.203 . . . . 90.0 108.866 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.83 -169.29 42.39 Favored Glycine 0 N--CA 1.413 -2.881 0 N-CA-C 109.152 -1.579 . . . . 90.0 109.152 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 t -160.4 -135.14 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 104.972 -2.232 . . . . 90.0 104.972 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 7.7 p-10 -127.5 47.41 2.38 Favored 'General case' 0 N--CA 1.385 -3.695 0 CA-C-O 122.004 0.907 . . . . 10.0 109.606 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -124.67 157.26 36.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.34 176.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 t -149.82 150.7 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.381 -3.919 0 N-CA-C 106.02 -1.845 . . . . 10.0 106.02 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 96' ' ' ILE . 22.3 t -132.56 116.0 16.16 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -96.65 127.14 42.36 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.157 -1.423 . . . . 10.0 107.157 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 48.7 t -117.79 112.45 20.43 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 105.199 -2.149 . . . . 10.0 105.199 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.794 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 15.5 p90 -132.89 161.53 33.98 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.501 -0.879 . . . . 10.0 112.24 -171.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 161.13 31.32 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.458 -0.897 . . . . 10.0 109.293 172.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.46 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 36.9 m -144.91 164.83 29.9 Favored 'General case' 0 C--N 1.264 -3.129 0 N-CA-C 106.958 -1.497 . . . . 10.0 106.958 171.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' SER . 3.0 mm? -113.49 76.08 0.96 Allowed 'General case' 0 C--N 1.252 -3.659 0 N-CA-C 107.544 -1.28 . . . . 10.0 107.544 174.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 61' ' ' PHE . . . -23.22 111.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 125.679 1.862 . . . . 10.0 112.204 -168.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -54.62 132.75 64.41 Favored Pre-proline 0 N--CA 1.394 -3.238 0 O-C-N 124.798 1.311 . . . . 10.0 111.017 -167.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -59.54 -4.93 2.83 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 124.398 3.398 . . . . 10.0 114.944 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -114.0 16.03 18.31 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.972 -176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 43.6 mt -78.22 152.05 32.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.089 0.947 . . . . 10.0 113.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 132.76 42.89 Favored 'General case' 0 N--CA 1.404 -2.767 0 CA-C-N 113.729 -1.578 . . . . 10.0 111.365 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.5 tp -59.98 -40.97 90.93 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 124.001 0.92 . . . . 10.0 109.987 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 15.4 tpt180 -61.61 -33.01 73.17 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 118.968 -1.093 . . . . 10.0 110.055 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 1.3 m-20 -64.58 -38.55 91.39 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.535 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -67.87 -40.98 83.52 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 119.186 -1.005 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 mm? -70.91 -24.4 62.46 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 113.776 -1.557 . . . . 10.0 110.975 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.94 -38.73 24.78 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.136 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 34' ' ' LEU . 54.2 mt -52.51 -52.85 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 123.022 0.529 . . . . 10.0 110.639 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 9.9 p -51.81 -40.92 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.635 0.585 . . . . 10.0 111.842 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.61 -61.38 1.81 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.413 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.3 m -59.38 -38.38 80.36 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.32 -175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -71.84 -53.61 12.72 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 104' ' ' TRP . 26.8 pt20 -65.48 -33.46 75.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.2 0.454 . . . . 10.0 111.691 -174.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -24.96 63.38 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 121.433 0.635 . . . . 10.0 110.249 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -88.02 -39.89 14.3 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.5 -45.74 91.61 Favored 'General case' 0 C--O 1.205 -1.26 0 C-N-CA 123.035 0.534 . . . . 10.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.221 0.534 . . . . 10.0 110.225 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.51 -47.55 66.69 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.031 -0.986 . . . . 10.0 110.036 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.51 34.12 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 113.062 0.764 . . . . 10.0 113.062 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 74.8 30.71 0.96 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.074 1.35 . . . . 10.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -91.55 135.6 33.74 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 114.769 -1.105 . . . . 10.0 113.341 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 40.9 p -112.5 143.15 44.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.806 1.242 . . . . 10.0 109.475 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.15 178.58 41.77 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.211 -1.471 . . . . 10.0 114.93 -167.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.661 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -164.8 133.94 3.57 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 124.764 1.226 . . . . 10.0 109.138 170.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 63' ' ' GLN . 1.9 tm? -114.09 127.87 56.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -114.86 137.02 52.45 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.819 -1.178 . . . . 10.0 107.819 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.42 110.88 4.69 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 105.855 -1.905 . . . . 10.0 105.855 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 p -166.41 152.65 8.83 Favored 'General case' 0 N--CA 1.424 -1.748 0 N-CA-C 106.816 -1.55 . . . . 10.0 106.816 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.05 16.81 10.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.2 0.524 . . . . 10.0 111.341 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.02 -10.97 63.84 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 116.334 -0.393 . . . . 10.0 112.961 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.28 134.37 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 C-N-CA 119.877 -0.729 . . . . 10.0 110.063 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -104.88 125.03 50.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.614 ' HZ ' ' HG ' ' A' ' 20' ' ' CYS . 55.7 t80 -132.61 126.15 32.07 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.87 -1.132 . . . . 10.0 111.206 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 22.6 tt0 -139.4 147.23 41.17 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 173.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.661 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 p90 -140.67 155.41 46.51 Favored 'General case' 0 N--CA 1.393 -3.307 0 N-CA-C 105.819 -1.919 . . . . 10.0 105.819 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -141.06 139.01 34.0 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 110.155 -0.313 . . . . 10.0 110.155 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.688 ' OE2' ' HD2' ' A' ' 100' ' ' ARG . 32.5 mt-10 -115.79 122.91 46.85 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 106.281 -1.748 . . . . 10.0 106.281 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.78 177.49 42.07 Favored Glycine 0 C--N 1.289 -2.072 0 N-CA-C 110.434 -1.066 . . . . 10.0 110.434 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.5 t-80 -68.15 130.4 92.53 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -30.93 -53.64 0.24 Allowed 'Trans proline' 0 C--N 1.376 1.979 1 C-N-CA 126.277 4.651 . . . . 10.0 116.615 -171.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.38 -22.32 61.15 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.68 64.49 Favored 'General case' 0 C--N 1.271 -2.834 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.6 t -63.24 -42.93 98.27 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.253 0 CA-C-N 113.622 -1.626 . . . . 10.0 108.232 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.46 -35.41 68.23 Favored 'General case' 0 C--O 1.199 -1.58 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.61 -43.69 84.9 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.501 -1.296 . . . . 10.0 107.501 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG12 HD12 ' A' ' 79' ' ' ILE . 39.5 t -62.88 -50.73 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.192 -1.367 . . . . 10.0 109.734 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.86 -51.11 64.68 Favored 'General case' 0 C--O 1.191 -2.004 0 N-CA-C 112.875 0.695 . . . . 10.0 112.875 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 14.6 m -55.8 -44.32 77.69 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 118.153 0.433 . . . . 10.0 110.608 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.46 ' HB3' " H3'" ' A' 1126 ' ' FAD . 59.4 m80 -67.66 -41.5 83.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.717 0.77 . . . . 10.0 111.693 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 88' ' ' VAL . 5.5 mt -69.43 -41.8 80.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.624 HE21 HG22 ' A' ' 79' ' ' ILE . 30.7 mm-40 -75.86 1.9 13.79 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 125.469 1.508 . . . . 10.0 111.856 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' SER . 35.0 mmt180 -103.96 32.29 4.03 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 106.334 -1.728 . . . . 10.0 106.334 166.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -19.9 134.63 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 C-N-CA 128.765 2.826 . . . . 10.0 118.234 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -143.51 -70.46 0.31 Allowed 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 113.041 -1.891 . . . . 10.0 109.682 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' C8M' ' A' 1126 ' ' FAD . 3.1 mpt_? -91.55 43.12 1.13 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 120.08 -0.648 . . . . 10.0 111.97 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.49 ' HE1' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -170.72 171.73 6.06 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 123.686 0.795 . . . . 10.0 108.879 176.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 44.7 t -78.71 -148.04 0.04 OUTLIER 'General case' 0 C--N 1.279 -2.478 0 O-C-N 124.956 1.41 . . . . 10.0 109.942 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -41.27 -33.45 0.38 Allowed 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 128.949 2.9 . . . . 10.0 114.838 -173.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.427 7.2 p 45.39 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 C-N-CA 125.933 1.693 . . . . 10.0 115.025 -171.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 19.0 mt-10 -88.78 90.24 8.32 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-N 112.095 -2.32 . . . . 10.0 109.191 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.794 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.4 mm -49.13 -72.87 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 106.967 -1.494 . . . . 10.0 106.967 169.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 67.54 -27.73 0.13 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 126.206 1.802 . . . . 10.0 112.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -126.2 113.66 17.31 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 120.933 0.396 . . . . 10.0 111.226 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -129.53 111.46 12.76 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.696 -1.594 . . . . 10.0 106.696 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -119.47 140.05 51.08 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.463 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 p -75.85 122.87 24.74 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.9 pt -123.61 169.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.79 -1.18 22.82 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.931 1.348 . . . . 10.0 108.775 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 10.0 ttmt 61.19 -157.51 0.34 Allowed 'General case' 1 N--CA 1.365 -4.711 0 CA-C-N 111.298 -2.683 . . . . 10.0 110.222 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.63 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 9.6 mpt_? 85.79 69.55 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 125.148 1.379 . . . . 10.0 111.575 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.688 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 68.4 mtt180 -142.8 -60.53 0.43 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.54 -1.652 . . . . 10.0 106.54 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -111.37 157.12 20.58 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.76 -7.1 12.69 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.221 0.534 . . . . 10.0 110.549 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.7 158.64 27.86 Favored Glycine 0 N--CA 1.422 -2.236 0 N-CA-C 110.004 -1.238 . . . . 10.0 110.004 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 42' ' ' GLN . 10.7 t90 -81.96 138.04 35.03 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.5 m80 -120.18 162.86 18.63 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.538 0.735 . . . . 10.0 109.827 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.523 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.4 ttt -151.32 134.59 16.05 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.921 -0.399 . . . . 10.0 109.921 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.1 -43.74 97.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.556 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.38 94.09 7.62 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -121.09 -50.17 2.16 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.12 0.486 . . . . 90.0 109.827 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 p -145.17 -25.46 0.48 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.048 -0.524 . . . . 90.0 111.29 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.5 p 64.53 167.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.543 1.937 . . . . 90.0 111.013 -174.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.79 -21.25 34.63 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.794 -0.567 . . . . 90.0 111.669 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.99 10.53 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.974 0.892 . . . . 90.0 110.573 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -125.02 -42.22 2.04 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.371 -0.831 . . . . 90.0 111.046 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.21 -50.99 68.07 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 107.632 -1.247 . . . . 90.0 107.632 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 64.72 -44.77 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.02 1.728 . . . . 90.0 114.864 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.467 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 23.8 t -43.59 -39.63 3.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.21 1.804 . . . . 90.0 112.288 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 pp -53.46 -27.44 24.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.965 1.468 . . . . 90.0 114.965 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -132.58 -15.05 1.45 Allowed Glycine 0 C--N 1.313 -0.72 0 C-N-CA 120.049 -1.072 . . . . 90.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.4 tp -97.27 -50.28 4.62 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.068 0.461 . . . . 90.0 111.023 -177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -95.05 31.75 1.82 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 122.046 0.927 . . . . 90.0 111.346 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -121.83 109.71 15.0 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 106.292 -1.744 . . . . 90.0 106.292 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.4 p -85.3 144.24 28.21 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.704 0.764 . . . . 90.0 111.769 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 121.58 10.47 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 105.317 -2.105 . . . . 90.0 105.317 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 C--N 1.28 -2.448 0 CA-C-N 116.319 -0.401 . . . . 90.0 110.307 -172.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.584 ' C8M' ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp . . . . . 0 C--O 1.236 0.364 0 N-CA-C 108.334 -0.987 . . . . 90.0 108.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.89 158.52 35.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.134 -1.061 . . . . 90.0 108.134 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.29 125.0 17.57 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.902 0.858 . . . . 90.0 111.781 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' HG22 ' A' ' 10' ' ' THR . 10.9 t70 -80.53 163.51 23.66 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.899 -1.5 . . . . 90.0 108.572 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.47 -10.65 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.938 1.088 . . . . 90.0 113.938 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 HG22 ' HB3' ' A' ' 8' ' ' ASP . 4.0 t -44.8 117.95 1.47 Allowed 'General case' 0 C--O 1.245 0.845 0 C-N-CA 123.954 0.901 . . . . 90.0 112.295 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -78.71 139.39 38.48 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.056 -0.52 . . . . 90.0 111.38 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -97.58 -67.92 0.82 Allowed 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.359 -0.837 . . . . 90.0 110.675 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.76 83.23 0.28 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 111.296 -0.721 . . . . 90.0 111.296 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -102.52 -44.99 5.19 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 112.775 0.657 . . . . 90.0 112.775 -175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.7 p-10 -115.46 49.34 1.09 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-O 121.796 0.807 . . . . 10.0 112.131 -171.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.6 mm? -118.87 152.28 36.56 Favored 'General case' 0 N--CA 1.39 -3.459 0 CA-C-N 114.741 -1.118 . . . . 10.0 109.414 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 t -147.42 150.6 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.974 0 N-CA-C 106.199 -1.778 . . . . 10.0 106.199 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' HD13 ' A' ' 96' ' ' ILE . 27.4 t -130.93 125.5 33.65 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.0 p -101.49 131.18 47.76 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 105.603 -1.999 . . . . 10.0 105.603 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.704 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 60.0 m -121.52 105.95 10.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 88' ' ' VAL . 3.0 p90 -121.65 168.32 11.91 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 119.654 -0.818 . . . . 10.0 112.487 -170.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 24.4 ptt180 -127.54 161.96 27.58 Favored 'General case' 0 N--CA 1.427 -1.624 0 CA-C-N 115.07 -0.968 . . . . 10.0 109.845 175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 86' ' ' SER . 68.6 m -150.92 149.28 29.45 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 171.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -103.49 66.63 0.88 Allowed 'General case' 0 C--N 1.282 -2.369 0 C-N-CA 120.638 -0.425 . . . . 10.0 110.261 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -24.42 117.0 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.405 1.882 . . . . 10.0 114.645 -169.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -57.07 137.6 80.14 Favored Pre-proline 0 N--CA 1.402 -2.841 0 CA-C-N 113.834 -1.53 . . . . 10.0 113.155 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 49.7 Cg_endo -65.5 -4.91 10.4 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 123.937 3.091 . . . . 10.0 113.032 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 4.4 p-10 -107.65 7.25 28.46 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.51 -176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 41.1 mt -69.62 152.5 44.66 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.08 126.35 44.79 Favored 'General case' 0 N--CA 1.403 -2.81 0 CA-C-N 113.678 -1.601 . . . . 10.0 111.337 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -55.33 -42.72 74.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 C-N-CA 123.508 0.723 . . . . 10.0 110.166 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -68.03 -21.88 65.0 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 118.112 -1.435 . . . . 10.0 110.236 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 37' ' ' ILE . 2.1 m-20 -72.44 -38.9 68.19 Favored 'General case' 0 C--O 1.187 -2.206 0 CA-C-O 118.215 -0.898 . . . . 10.0 111.357 172.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.81 -41.04 97.96 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 119.079 -1.048 . . . . 10.0 109.244 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -69.71 -35.54 75.14 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.791 -1.549 . . . . 10.0 110.798 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.23 -38.33 71.97 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.52 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.1 mt -55.62 -56.57 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 123.92 0.888 . . . . 10.0 110.558 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.7 p -52.65 -48.1 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 123.652 0.595 . . . . 10.0 111.724 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 44.1 mt-10 -66.83 -49.29 66.24 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 112.408 0.521 . . . . 10.0 112.408 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.7 m -67.6 -33.39 74.91 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.882 0.372 . . . . 10.0 111.25 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.96 -51.31 70.61 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.151 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 5.1 mt-30 -57.17 -48.03 79.75 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 123.046 0.538 . . . . 10.0 111.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.12 80.96 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.221 0.951 . . . . 10.0 112.434 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.33 -39.7 22.48 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.239 -0.584 . . . . 10.0 110.611 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.25 -44.38 95.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 120.677 -0.409 . . . . 10.0 111.242 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.77 96.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.18 -52.6 58.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.53 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.33 30.25 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 76.31 28.45 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.899 1.28 . . . . 10.0 111.685 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.6 mp -90.0 125.51 35.42 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.467 -1.697 . . . . 10.0 112.187 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -111.69 144.36 41.09 Favored 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.45 179.71 40.8 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 119.085 -1.531 . . . . 10.0 115.031 -162.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -170.46 164.11 8.55 Favored 'General case' 0 C--N 1.288 -2.103 0 C-N-CA 124.548 1.139 . . . . 10.0 108.32 173.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 pp -149.64 143.77 25.73 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 120.245 -0.582 . . . . 10.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -117.06 107.35 14.41 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 108.178 -1.045 . . . . 10.0 108.178 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.443 ' HD2' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -107.79 110.59 22.43 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 p -153.57 139.06 17.71 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 66.27 12.31 8.5 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.437 1.095 . . . . 10.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.06 66.11 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.743 -0.662 . . . . 10.0 112.119 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.34 130.57 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 CA-C-O 121.987 0.899 . . . . 10.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE1' ' HD2' ' A' ' 56' ' ' TYR . 1.2 m-85 -90.63 124.47 35.09 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.903 -1.499 . . . . 10.0 110.277 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -118.06 116.41 26.81 Favored 'General case' 0 C--N 1.28 -2.421 0 N-CA-C 105.215 -2.142 . . . . 10.0 105.215 163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.77 126.09 26.56 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.95 -1.5 . . . . 10.0 106.95 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.29 162.8 34.55 Favored 'General case' 0 N--CA 1.42 -1.927 0 C-N-CA 118.968 -1.093 . . . . 10.0 109.188 177.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 72' ' ' VAL . 3.5 pp -149.26 151.44 34.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 120.608 0.242 . . . . 10.0 111.282 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 27.2 mt-10 -107.13 124.45 49.72 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.227 -1.768 . . . . 10.0 106.227 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.62 175.81 42.5 Favored Glycine 0 C--N 1.297 -1.614 0 C-N-CA 119.409 -1.376 . . . . 10.0 111.185 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.3 t-80 -69.37 131.69 90.06 Favored Pre-proline 0 C--O 1.208 -1.098 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 3.0 Cg_exo -33.04 -45.26 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.802 1 C-N-CA 126.045 4.496 . . . . 10.0 116.379 -173.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.7 60.21 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -67.04 -45.4 77.56 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 76' ' ' MET . 4.7 t -56.66 -45.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 112.97 -1.923 . . . . 10.0 107.928 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.74 69.61 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 114.049 1.129 . . . . 10.0 114.049 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -43.26 99.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 174.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 65' ' ' LEU . 36.7 t -60.18 -50.08 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 CA-C-N 113.796 -1.547 . . . . 10.0 109.522 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.588 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.6 mmt -53.59 -51.36 63.25 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.93 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -55.69 -42.01 74.56 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 122.964 0.505 . . . . 10.0 110.443 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' HB3' " H3'" ' A' 1126 ' ' FAD . 24.2 m170 -70.51 -41.01 73.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.327 0.584 . . . . 10.0 112.02 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.602 HG23 ' HE1' ' A' ' 85' ' ' HIS . 9.1 mt -74.33 -42.23 50.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 C-N-CA 124.981 1.312 . . . . 10.0 114.411 -177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.59 HE21 HG22 ' A' ' 79' ' ' ILE . 29.2 mm-40 -65.83 -11.4 46.12 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 124.395 1.078 . . . . 10.0 111.734 175.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 52.2 mtp180 -78.95 21.76 0.41 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.062 0.545 . . . . 10.0 110.2 168.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.693 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.321 4.9 t70 -20.02 135.48 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 118.1 2.63 . . . . 10.0 118.1 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -172.33 -44.19 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.983 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HB2' HM81 ' A' 1126 ' ' FAD . 10.9 mpt_? -103.99 24.22 11.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.693 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -159.29 -161.21 0.91 Allowed 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.563 -1.643 . . . . 10.0 106.563 176.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 23' ' ' SER . 16.0 m -140.74 117.79 11.2 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 80.11 -37.07 0.15 Allowed 'General case' 0 CA--C 1.483 -1.623 0 C-N-CA 126.884 2.073 . . . . 10.0 114.747 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.442 6.7 p 38.77 73.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 N-CA-C 116.243 1.942 . . . . 10.0 116.243 -177.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 11.8 mt-10 -90.89 91.84 8.52 Favored 'General case' 0 N--CA 1.402 -2.826 0 CA-C-N 112.505 -2.134 . . . . 10.0 108.759 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.717 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.7 mm -43.86 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 CA-C-N 114.049 -1.432 . . . . 10.0 107.327 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.4 mt 66.42 -17.28 0.12 Allowed 'General case' 0 C--N 1.282 -2.362 0 C-N-CA 125.14 1.376 . . . . 10.0 113.518 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -146.28 118.14 8.18 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.609 0.242 . . . . 10.0 111.419 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.28 113.61 14.62 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.37 142.53 49.08 Favored 'General case' 0 C--N 1.3 -1.543 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.626 -176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 124.68 27.47 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' A' ' 18' ' ' SER . 21.4 pt -122.4 170.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 115.191 1.552 . . . . 10.0 115.191 -173.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.08 0.14 23.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 CA-C-N 114.587 -1.188 . . . . 10.0 110.086 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 4.0 ttmt 56.27 -164.99 0.14 Allowed 'General case' 0 N--CA 1.39 -3.447 0 CA-C-N 112.21 -2.268 . . . . 10.0 111.559 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.589 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 3.7 mmp_? 84.38 28.01 0.07 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 124.6 1.16 . . . . 10.0 111.453 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -89.87 -62.94 1.36 Allowed 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.516 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -103.27 -10.79 18.43 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 -173.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.67 -21.77 0.08 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 116.402 2.001 . . . . 10.0 116.402 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.33 165.68 30.93 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 107.004 -2.438 . . . . 10.0 107.004 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 44.7 t90 -86.74 143.4 27.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 120.07 1.935 . . . . 10.0 109.273 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 76.3 m80 -136.25 157.26 47.24 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.607 0.242 . . . . 10.0 110.447 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.615 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 24.9 ttt -132.6 130.88 40.83 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 106.211 -1.774 . . . . 10.0 106.211 173.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -83.8 13.19 5.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.258 -0.577 . . . . 10.0 111.403 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.15 -65.14 0.73 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.609 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.9 t 57.5 -92.0 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 O-C-N 124.032 0.832 . . . . 90.0 110.217 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 80.4 m -154.87 23.49 0.44 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.967 -1.494 . . . . 90.0 106.967 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.273 7.1 p 56.49 -74.88 0.02 OUTLIER 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.348 1.459 . . . . 90.0 111.787 -170.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.528 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -157.92 -54.04 0.07 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.17 -0.678 . . . . 90.0 109.17 170.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.51 24.95 12.47 Favored 'General case' 0 C--N 1.366 1.295 0 CA-C-O 122.593 1.187 . . . . 90.0 109.285 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.528 ' H ' ' HG2' ' A' ' 112' ' ' GLU . 13.6 t70 -97.45 -53.89 3.31 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.818 -1.537 . . . . 90.0 109.397 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.97 -49.08 2.88 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.584 -0.734 . . . . 90.0 111.118 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 28.7 mmt180 68.73 25.26 6.42 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.811 0.694 . . . . 90.0 109.652 -175.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 5.1 p -74.4 2.36 9.61 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 122.413 1.102 . . . . 90.0 110.613 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.64 -29.37 67.97 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.587 -1.642 . . . . 90.0 109.792 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.46 -18.05 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.411 -0.9 . . . . 90.0 113.185 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 116' ' ' ARG . 7.2 mp -84.0 -76.48 0.29 Allowed 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 117.361 0.58 . . . . 90.0 109.783 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -85.5 74.74 10.27 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 108.24 -1.022 . . . . 90.0 108.24 177.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.72 -52.03 0.57 Allowed 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 104.269 -2.493 . . . . 90.0 104.269 -177.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 m 73.43 134.78 0.05 OUTLIER 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.881 -1.509 . . . . 90.0 114.543 170.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.06 117.7 21.31 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.098 -1.445 . . . . 90.0 107.098 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.266 -3.03 0 CA-C-N 114.836 -1.074 . . . . 90.0 109.269 -176.028 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.413 HM81 ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.158 -0.682 . . . . 90.0 109.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -104.95 160.48 14.99 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.493 -0.929 . . . . 90.0 108.493 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 133.67 55.66 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.762 0.663 . . . . 90.0 109.455 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.81 135.72 38.0 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.185 -1.043 . . . . 90.0 108.185 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.08 -16.48 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 N-CA-C 113.283 0.845 . . . . 90.0 113.283 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p 55.77 -157.32 0.24 Allowed 'General case' 0 C--O 1.26 1.621 0 C-N-CA 125.023 1.329 . . . . 90.0 109.795 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 mtt -105.83 83.46 1.92 Allowed 'General case' 0 N--CA 1.407 -2.62 0 CA-C-O 121.862 0.839 . . . . 90.0 109.795 172.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -106.72 -61.47 1.53 Allowed 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 113.965 -1.47 . . . . 90.0 108.78 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.88 -115.6 6.3 Favored Glycine 0 N--CA 1.428 -1.866 0 N-CA-C 110.084 -1.206 . . . . 90.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 t -168.05 -96.71 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 121.362 0.601 . . . . 90.0 110.653 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.0 p30 -137.1 65.83 1.49 Allowed 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 124.973 1.309 . . . . 10.0 109.531 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -115.47 159.67 20.88 Favored 'General case' 0 N--CA 1.385 -3.705 0 CA-C-N 114.28 -1.327 . . . . 10.0 108.768 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 95' ' ' SER . 12.1 t -152.75 151.94 11.13 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.235 0 C-N-CA 125.98 1.712 . . . . 10.0 107.258 -175.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.615 ' OG ' HD13 ' A' ' 96' ' ' ILE . 38.6 m -126.32 111.41 14.49 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 123.322 0.649 . . . . 10.0 110.02 173.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.2 m -89.17 112.56 23.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 105.036 -2.209 . . . . 10.0 105.036 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 38.0 t -104.9 134.42 48.06 Favored 'General case' 0 N--CA 1.414 -2.259 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.79 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.9 p90 -146.33 164.79 31.25 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 118.507 -1.277 . . . . 10.0 111.805 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 159.69 35.08 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 173.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 43.8 m -146.45 169.98 17.79 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -113.78 34.97 4.29 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 119.959 -0.697 . . . . 10.0 111.876 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 22.35 104.0 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 126.32 1.848 . . . . 10.0 114.036 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.57 125.27 59.85 Favored Pre-proline 0 N--CA 1.411 -2.379 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.342 -169.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 55.3 Cg_endo -62.45 -4.68 5.76 Favored 'Trans proline' 0 N--CA 1.485 1.016 0 C-N-CA 124.191 3.261 . . . . 10.0 114.151 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 9.0 p-10 -102.23 16.44 26.15 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-O 122.196 0.998 . . . . 10.0 109.237 -176.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' CB ' ' A' ' 84' ' ' ARG . 10.1 mt -74.06 156.29 37.61 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.59 122.06 38.81 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.706 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.7 tp -46.43 -41.69 14.14 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 124.908 1.283 . . . . 10.0 111.832 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.32 -27.98 68.98 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.813 -1.155 . . . . 10.0 111.085 -174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 37' ' ' ILE . 25.6 t0 -82.45 -21.56 35.58 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.21 -40.56 71.07 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 122.658 1.218 . . . . 10.0 108.329 173.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -71.63 -31.42 66.85 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 113.29 -1.777 . . . . 10.0 109.918 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.81 -38.66 91.94 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.828 -0.749 . . . . 10.0 111.961 169.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 34' ' ' LEU . 92.2 mt -52.79 -55.92 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.399 0.68 . . . . 10.0 110.071 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 106' ' ' MET . 7.2 p -59.9 -43.95 93.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 115.887 -0.597 . . . . 10.0 112.275 -175.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.1 -34.48 78.5 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 t -85.28 -28.65 25.18 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.252 -0.579 . . . . 10.0 111.163 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -65.3 -60.79 2.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.742 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 2.9 mt-30 -51.35 -39.74 57.69 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 123.225 0.61 . . . . 10.0 112.101 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.75 95.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.896 -1.047 . . . . 10.0 111.279 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -79.45 -33.87 42.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -59.55 -51.1 71.3 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 123.267 0.354 . . . . 10.0 110.587 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.72 96.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.321 0.581 . . . . 10.0 110.383 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -60.04 -52.39 65.56 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.136 -0.938 . . . . 10.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.75 -2.25 46.22 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 119.765 -0.774 . . . . 10.0 112.712 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 73.18 23.36 2.66 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.558 1.171 . . . . 10.0 111.116 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 6.8 mp -85.07 126.96 34.02 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 112.752 -2.022 . . . . 10.0 112.358 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 41.1 p -110.36 149.85 29.63 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 124.0 0.92 . . . . 10.0 109.009 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.98 178.07 41.92 Favored Glycine 0 CA--C 1.491 -1.446 0 C-N-CA 118.333 -1.889 . . . . 10.0 114.772 -167.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.39 161.81 12.09 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 124.052 0.941 . . . . 10.0 108.697 172.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 63' ' ' GLN . 2.7 pp -150.58 150.09 30.74 Favored 'General case' 0 CA--C 1.491 -1.31 0 C-N-CA 120.395 -0.522 . . . . 10.0 109.948 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -128.03 107.73 10.07 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.387 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 120.44 38.36 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 104.819 -2.289 . . . . 10.0 104.819 175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.2 m -138.56 112.74 8.64 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.833 -0.347 . . . . 10.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 69.66 -65.14 0.32 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.958 1.303 . . . . 10.0 111.048 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.09 -35.1 0.03 OUTLIER Glycine 0 C--N 1.3 -1.426 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.94 121.3 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 CA-C-O 122.71 1.243 . . . . 10.0 111.612 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.256 0.1 OUTLIER -89.95 123.52 33.94 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 113.31 -1.768 . . . . 10.0 108.87 175.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -115.89 116.41 27.93 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.836 -1.542 . . . . 10.0 106.836 169.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.607 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -139.6 128.45 23.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 -171.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -143.55 164.14 31.21 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.21 -0.996 . . . . 10.0 109.927 173.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.1 pt? -145.58 148.95 33.7 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.704 0.288 . . . . 10.0 111.041 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.8 mt-10 -107.22 124.35 49.61 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.76 176.26 43.05 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 119.808 -1.187 . . . . 10.0 111.266 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.627 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.4 t-80 -68.32 129.13 93.0 Favored Pre-proline 0 C--O 1.206 -1.226 0 CA-C-N 118.105 0.953 . . . . 10.0 108.47 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.1 Cg_exo -32.61 -53.72 0.37 Allowed 'Trans proline' 0 C--N 1.375 1.93 1 C-N-CA 125.858 4.372 . . . . 10.0 116.452 -171.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.89 65.64 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.92 1.081 . . . . 10.0 113.92 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 108.143 -1.058 . . . . 10.0 108.143 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -67.2 -37.88 79.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 113.78 -1.554 . . . . 10.0 107.793 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.1 63.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.91 -40.62 93.83 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.746 -1.575 . . . . 10.0 106.746 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.0 t -63.03 -53.15 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 CA-C-N 114.139 -1.392 . . . . 10.0 109.792 171.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.4 mmt -50.11 -48.65 53.3 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 123.422 0.689 . . . . 10.0 112.35 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 t -55.85 -46.09 78.3 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 122.842 0.457 . . . . 10.0 110.54 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.73 -29.43 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.614 0.721 . . . . 10.0 111.433 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 88' ' ' VAL . 1.6 mt -76.87 -48.21 26.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 114.171 1.175 . . . . 10.0 114.171 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.494 ' NE2' HD11 ' A' ' 90' ' ' ILE . 28.5 mm-40 -65.77 -18.21 65.17 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 124.082 0.953 . . . . 10.0 111.612 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -107.07 39.23 1.91 Allowed 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.564 0.746 . . . . 10.0 109.765 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 17.8 t70 -99.45 -138.78 0.31 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.628 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.414 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 11.0 ptt180 -177.09 -32.48 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.314 1.046 . . . . 10.0 111.477 -167.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' CB ' HD21 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -79.75 -47.57 15.04 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.725 1.25 . . . . 10.0 110.844 -174.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -91.38 93.77 9.19 Favored 'General case' 0 C--N 1.256 -3.496 0 CA-C-N 114.975 -1.011 . . . . 10.0 110.401 -176.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -26.56 -48.05 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 128.512 2.725 . . . . 10.0 118.058 -165.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -126.16 -26.38 3.39 Favored 'General case' 0 C--N 1.281 -2.391 0 C-N-CA 119.983 -0.687 . . . . 10.0 112.131 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.721 HG21 HG23 ' A' ' 79' ' ' ILE 0.482 8.1 p 36.57 68.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -167.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 26.9 mt-10 -91.23 94.04 9.37 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.104 -1.862 . . . . 10.0 109.248 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.79 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.6 mm -48.11 -75.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 O-C-N 125.097 1.498 . . . . 10.0 107.404 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 97.7 mt 66.41 -14.56 0.15 Allowed 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.218 1.407 . . . . 10.0 113.294 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.49 113.33 8.63 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 120.949 0.404 . . . . 10.0 110.586 176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.69 111.19 13.99 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -116.4 138.35 51.42 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.787 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 17' ' ' VAL . 21.9 m -79.55 120.71 24.3 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.114 -1.069 . . . . 10.0 108.114 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.615 HD13 ' OG ' ' A' ' 18' ' ' SER . 44.4 pt -116.84 173.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -172.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.4 -0.58 25.95 Favored 'General case' 0 CA--C 1.477 -1.834 0 CA-C-N 115.021 -0.991 . . . . 10.0 109.79 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.2 ttmt 57.31 -164.48 0.17 Allowed 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 111.969 -2.378 . . . . 10.0 112.227 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 41.7 ttp180 87.5 31.8 0.03 OUTLIER 'General case' 0 C--O 1.246 0.878 0 C-N-CA 125.619 1.567 . . . . 10.0 111.24 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.18 -42.73 10.87 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.89 164.93 22.05 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.147 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.75 -6.55 11.06 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.347 0.594 . . . . 10.0 109.586 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.44 156.22 26.58 Favored Glycine 0 N--CA 1.433 -1.557 0 N-CA-C 109.069 -1.612 . . . . 10.0 109.069 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.549 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 18.5 t90 -80.29 143.25 33.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 118.022 0.911 . . . . 10.0 110.218 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 75.7 m80 -124.54 146.65 48.89 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.232 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -104.18 169.53 8.43 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.081 -2.192 . . . . 10.0 105.081 177.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.8 tp60 -79.64 -39.55 31.21 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.811 -1.181 . . . . 10.0 107.811 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.2 69.35 7.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-O 122.125 0.964 . . . . 10.0 109.015 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 m -104.83 -24.44 12.89 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.667 -1.975 . . . . 90.0 105.667 170.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.2 t 172.58 -178.93 0.07 Allowed 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 102.575 -3.12 . . . . 90.0 102.575 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 p -164.64 -173.71 3.13 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.662 -0.866 . . . . 90.0 108.662 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 11.3 mp0 -56.83 -54.05 50.91 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.248 0.968 . . . . 90.0 108.43 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.19 -7.09 0.13 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.495 1.518 . . . . 90.0 114.699 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.58 -36.76 21.86 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 109.315 -0.624 . . . . 90.0 109.315 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 65.5 mtt -63.52 -45.14 91.99 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.721 -0.844 . . . . 90.0 108.721 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 68.2 -26.19 0.13 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.248 1.819 . . . . 90.0 114.064 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 2.6 p -65.62 -0.06 1.87 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.597 1.559 . . . . 90.0 113.496 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.8 -3.28 30.84 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.778 1.231 . . . . 90.0 112.23 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 150.37 -24.38 1.09 Allowed Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.323 -0.941 . . . . 90.0 112.635 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -79.38 -58.97 2.95 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.286 -1.005 . . . . 90.0 108.286 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -101.17 91.51 4.56 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-O 121.97 0.89 . . . . 90.0 110.109 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -140.36 153.36 46.36 Favored 'General case' 0 C--N 1.269 -2.907 0 N-CA-C 105.402 -2.073 . . . . 90.0 105.402 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.1 m -65.99 147.0 54.04 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.082 0.468 . . . . 90.0 110.586 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.521 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -127.6 27.85 5.73 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.008 -1.108 . . . . 90.0 108.008 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.254 1.315 0 CA-C-N 114.5 -1.227 . . . . 90.0 110.515 -171.609 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.731 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 C--O 1.24 0.589 0 N-CA-C 107.574 -1.269 . . . . 90.0 107.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.22 147.91 23.26 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 109.023 -0.732 . . . . 90.0 109.023 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.1 136.53 32.99 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 115.704 -0.68 . . . . 90.0 109.663 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.45 153.13 18.09 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.777 -1.194 . . . . 90.0 107.777 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.41 -34.93 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 112.958 0.725 . . . . 90.0 112.958 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 p 43.9 60.77 2.57 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.157 0.983 . . . . 90.0 112.838 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.0 mtm -94.02 93.25 7.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 115.932 -0.576 . . . . 90.0 111.363 -175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -79.83 -56.21 4.43 Favored 'General case' 0 N--CA 1.411 -2.413 0 N-CA-C 108.054 -1.091 . . . . 90.0 108.054 172.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -175.27 156.76 22.91 Favored Glycine 0 N--CA 1.405 -3.41 0 N-CA-C 109.867 -1.293 . . . . 90.0 109.867 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.3 p -138.63 -39.93 0.51 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.289 0.566 . . . . 90.0 111.766 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 11.9 p-10 -104.12 44.66 1.01 Allowed 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.923 0.889 . . . . 10.0 111.112 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.9 mm? -122.83 156.51 34.41 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.668 -1.151 . . . . 10.0 110.666 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 95' ' ' SER . 24.7 t -149.22 151.01 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.538 0 C-N-CA 125.75 1.62 . . . . 10.0 108.245 -176.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m -125.09 119.51 28.82 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 124.339 1.056 . . . . 10.0 110.689 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -97.52 117.75 32.48 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.143 -1.799 . . . . 10.0 106.143 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 59.2 m -108.69 107.37 17.81 Favored 'General case' 0 CA--C 1.485 -1.557 0 N-CA-C 107.127 -1.434 . . . . 10.0 107.127 -174.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.9 p90 -122.07 161.02 23.8 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 119.074 -1.05 . . . . 10.0 112.387 -172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.86 161.54 28.8 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 172.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 39.8 m -149.65 168.17 24.35 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 175.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.768 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.7 mm? -112.63 81.11 1.43 Allowed 'General case' 0 C--O 1.173 -2.931 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -40.75 123.12 1.83 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.646 1.178 . . . . 10.0 112.583 -171.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . . . -61.9 117.71 31.65 Favored Pre-proline 0 N--CA 1.409 -2.507 0 O-C-N 124.159 0.912 . . . . 10.0 109.79 -177.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -64.92 -1.22 3.96 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 123.376 2.717 . . . . 10.0 111.783 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -87.98 -19.45 27.21 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.992 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.718 ' HG ' ' HB3' ' A' ' 26' ' ' ALA . 54.7 mt -67.15 158.64 30.75 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.78 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 7.4 p -90.79 155.18 18.97 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.714 176.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.3 tp -61.83 -34.98 76.92 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 172.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -67.0 -24.92 66.08 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.669 -1.212 . . . . 10.0 110.179 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' OG1' ' A' ' 30' ' ' THR . 7.2 t70 -67.5 -43.38 81.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 176.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.983 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.9 mm? -70.08 -36.53 74.97 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 122.213 1.006 . . . . 10.0 109.739 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.6 mm? -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-N 114.23 -1.35 . . . . 10.0 110.874 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.0 -32.32 30.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.484 0.659 . . . . 10.0 109.571 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 34' ' ' LEU . 34.5 mt -55.42 -51.3 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 110.354 175.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' HH2' ' A' ' 104' ' ' TRP . 8.0 p -57.79 -43.27 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 O-C-N 123.684 0.615 . . . . 10.0 111.383 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 6.4 mm-40 -58.13 -56.77 17.79 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.473 0.709 . . . . 10.0 110.251 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.0 m -63.87 -44.13 93.99 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.849 -1.069 . . . . 10.0 112.714 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -59.45 -45.93 90.21 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 113.25 0.834 . . . . 10.0 113.25 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.521 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.0 mt-30 -62.8 -46.01 89.98 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 121.236 0.541 . . . . 10.0 110.877 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.11 82.6 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.613 -1.176 . . . . 10.0 111.795 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -83.64 -33.55 25.24 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.891 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -65.39 -44.89 86.13 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 122.488 0.315 . . . . 10.0 111.242 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.68 85.45 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.73 -52.97 62.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.496 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.22 -2.55 41.58 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 71.89 32.22 1.92 Allowed 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 122.492 1.139 . . . . 10.0 110.289 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.08 158.16 16.36 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.295 -1.775 . . . . 10.0 114.52 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 31.9 p -134.32 145.43 49.03 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.337 2.255 . . . . 10.0 107.251 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.72 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.37 177.37 41.9 Favored Glycine 0 CA--C 1.49 -1.473 0 C-N-CA 118.486 -1.816 . . . . 10.0 115.542 -167.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -166.1 141.52 4.75 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.532 -0.834 . . . . 10.0 109.04 171.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 106' ' ' MET . 2.4 pp -130.72 149.11 52.52 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.83 138.96 54.5 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.189 -1.412 . . . . 10.0 107.189 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -139.55 106.21 5.36 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 -178.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -120.69 110.25 16.18 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.471 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 67.26 -75.18 0.06 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.173 1.389 . . . . 10.0 111.456 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.94 -9.65 1.09 Allowed Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 121.084 -0.579 . . . . 10.0 112.935 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.62 123.15 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 C-N-CA 119.384 -0.927 . . . . 10.0 110.732 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.26 138.85 31.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.263 -0.881 . . . . 10.0 110.071 174.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -140.49 118.2 11.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' H6 ' ' A' 1126 ' ' FAD . 12.4 tp60 -138.04 129.53 27.89 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -134.66 150.92 50.7 Favored 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 107.415 -1.328 . . . . 10.0 107.415 171.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -133.47 141.06 47.62 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.465 -175.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 34.3 mt-10 -103.81 124.43 48.91 Favored 'General case' 0 N--CA 1.42 -1.926 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 176.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.91 175.81 42.67 Favored Glycine 0 C--N 1.288 -2.135 0 N-CA-C 110.343 -1.103 . . . . 10.0 110.343 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.1 t-80 -69.8 131.47 89.4 Favored Pre-proline 0 C--O 1.195 -1.793 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.24 -54.49 0.33 Allowed 'Trans proline' 0 C--N 1.375 1.949 1 C-N-CA 125.721 4.28 . . . . 10.0 116.795 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.24 62.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 -177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -69.25 -44.76 71.29 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.739 -1.208 . . . . 10.0 107.739 176.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -61.79 -40.15 85.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.439 0 CA-C-N 113.776 -1.556 . . . . 10.0 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.83 67.4 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -42.74 99.8 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.613 -1.625 . . . . 10.0 106.613 174.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 65' ' ' LEU . 53.9 t -58.99 -50.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 CA-C-N 114.426 -1.261 . . . . 10.0 109.951 172.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.8 mmt -52.12 -48.63 64.73 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 123.055 0.542 . . . . 10.0 111.7 174.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -55.53 -43.94 76.22 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.54 0.525 . . . . 10.0 111.123 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -68.19 -50.42 54.45 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 119.772 -0.771 . . . . 10.0 111.447 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.715 ' HA ' ' OD2' ' A' ' 82' ' ' ASP . 3.3 mt -59.11 -49.9 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 114.726 1.38 . . . . 10.0 114.726 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.532 HE21 HG22 ' A' ' 79' ' ' ILE . 28.9 mm-40 -64.68 -18.23 64.79 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 123.601 0.76 . . . . 10.0 112.519 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -114.26 27.75 9.25 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.715 ' OD2' ' HA ' ' A' ' 79' ' ' ILE . 54.4 m-20 -83.16 -107.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 154.48 -32.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 126.097 1.759 . . . . 10.0 107.354 -165.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.482 ' HB3' HD11 ' A' ' 37' ' ' ILE . 57.5 mtt-85 -73.6 17.36 0.16 Allowed 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 125.448 1.499 . . . . 10.0 113.725 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -176.13 112.94 0.11 Allowed 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 124.779 1.231 . . . . 10.0 107.681 -173.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.768 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -51.52 -26.28 8.19 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 120.009 3.337 . . . . 10.0 120.009 -168.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.41 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 76.9 m-20 -133.22 -42.68 0.87 Allowed 'General case' 0 C--N 1.275 -2.644 0 C-N-CA 118.926 -1.109 . . . . 10.0 113.233 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.714 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.585 7.1 p 43.77 63.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.251 -3.695 0 CA-C-N 113.028 -1.896 . . . . 10.0 115.875 -168.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 15.3 mt-10 -85.58 87.95 7.46 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 111.996 -2.365 . . . . 10.0 108.296 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -47.79 -72.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.468 0 CA-C-N 113.897 -1.502 . . . . 10.0 107.07 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 92.6 mt 64.65 -18.86 0.08 Allowed 'General case' 0 C--N 1.276 -2.619 0 C-N-CA 125.565 1.546 . . . . 10.0 113.539 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.29 117.97 17.98 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -136.2 111.01 8.74 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.484 -1.302 . . . . 10.0 107.484 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.25 145.87 50.91 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.651 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' VAL . 23.8 m -79.04 130.07 35.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD12 ' CA ' ' A' ' 98' ' ' LYS . 9.3 pt -126.01 178.34 4.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -175.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -109.03 -1.92 18.56 Favored 'General case' 0 CA--C 1.476 -1.902 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.56 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.594 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.7 ttmt 54.1 -159.53 0.16 Allowed 'General case' 0 N--CA 1.395 -3.218 0 CA-C-N 113.005 -1.907 . . . . 10.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 38.6 mmt180 77.53 28.06 0.6 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.627 1.171 . . . . 10.0 110.839 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -103.64 -53.84 2.7 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.866 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.682 ' O ' ' HB ' ' A' ' 51' ' ' THR . 33.8 m-85 -117.51 67.4 0.74 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.561 0.696 . . . . 10.0 110.779 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.02 -14.39 0.05 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 129.6 3.16 . . . . 10.0 115.193 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -139.64 121.69 2.1 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 106.209 -2.756 . . . . 10.0 106.209 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.72 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 6.0 t90 -60.17 131.21 50.1 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 117.638 0.719 . . . . 10.0 111.474 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -107.44 152.38 24.28 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.958 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.7 141.38 47.54 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.984 -1.858 . . . . 10.0 105.984 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 25.3 tp60 -52.0 -43.93 63.88 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.719 0.637 . . . . 10.0 110.462 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.8 77.71 1.47 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 106.447 -1.686 . . . . 10.0 106.447 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -81.23 -26.12 36.13 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.226 -1.398 . . . . 90.0 107.226 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.8 p -168.42 153.58 6.49 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 105.373 -2.084 . . . . 90.0 105.373 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.8 p -87.77 157.07 19.13 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.2 -1.0 . . . . 90.0 109.348 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.45 -45.18 95.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.456 -0.338 . . . . 90.0 110.703 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 65.7 -28.15 0.11 Allowed 'General case' 0 C--O 1.196 -1.756 0 N-CA-C 115.177 1.547 . . . . 90.0 115.177 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.6 -38.02 30.12 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 118.054 0.388 . . . . 90.0 110.839 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.8 mmt -60.97 -48.46 81.73 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 116.171 -0.468 . . . . 90.0 110.116 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 66.64 -45.79 0.44 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.148 1.379 . . . . 90.0 114.381 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.3 m -58.11 -8.42 1.06 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.499 1.52 . . . . 90.0 113.837 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.26 -25.12 65.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.681 0.392 . . . . 90.0 110.588 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.276 -0.964 . . . . 90.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.68 -53.88 40.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.04 -0.726 . . . . 90.0 109.04 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.48 33.0 1.14 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 122.5 1.143 . . . . 90.0 110.219 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -123.53 137.1 54.84 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.658 -1.978 . . . . 90.0 105.658 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -76.48 132.11 39.41 Favored 'General case' 0 N--CA 1.409 -2.519 0 CA-C-O 121.303 0.573 . . . . 90.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -72.86 -7.74 52.27 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.238 -0.892 . . . . 90.0 109.496 173.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.378 -0.971 . . . . 90.0 108.378 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.545 " O4'" H1'2 ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.131 0.491 . . . . 90.0 110.136 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.73 149.46 40.52 Favored 'General case' 0 N--CA 1.402 -2.85 0 N-CA-C 105.113 -2.18 . . . . 90.0 105.113 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 135.67 56.39 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 123.949 0.781 . . . . 90.0 109.418 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 120.98 14.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.488 -0.56 . . . . 90.0 109.488 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.72 6.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 114.539 1.311 . . . . 90.0 114.539 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.3 p 69.43 139.26 0.04 OUTLIER 'General case' 0 C--O 1.241 0.637 0 C-N-CA 126.638 1.975 . . . . 90.0 114.554 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.13 70.64 6.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.6 -0.889 . . . . 90.0 108.6 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -114.38 80.25 1.37 Allowed 'General case' 0 N--CA 1.415 -2.175 0 CA-C-O 122.131 0.967 . . . . 90.0 111.374 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.58 154.29 21.68 Favored Glycine 0 N--CA 1.421 -2.365 0 N-CA-C 108.517 -1.833 . . . . 90.0 108.517 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -117.8 -43.05 2.8 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 113.402 0.89 . . . . 90.0 113.402 -175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.7 p-10 -109.01 48.65 0.85 Allowed 'General case' 0 N--CA 1.403 -2.78 0 CA-C-O 122.157 0.98 . . . . 10.0 111.895 -169.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.4 mm? -117.76 155.0 30.77 Favored 'General case' 0 N--CA 1.391 -3.424 0 CA-C-N 114.103 -1.408 . . . . 10.0 108.622 173.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 95' ' ' SER . 21.9 t -151.73 149.0 14.25 Favored 'Isoleucine or valine' 1 N--CA 1.376 -4.146 0 N-CA-C 106.265 -1.754 . . . . 10.0 106.265 -176.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 33.2 p -134.48 116.56 15.25 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-O 121.149 0.499 . . . . 10.0 110.363 176.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -95.05 123.53 38.59 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 53.2 m -112.98 107.71 16.35 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 -174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.777 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 5.7 p90 -117.18 154.12 31.65 Favored 'General case' 0 N--CA 1.409 -2.516 0 C-N-CA 118.536 -1.266 . . . . 10.0 113.78 -172.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -118.38 119.93 36.09 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 114.508 -1.224 . . . . 10.0 108.403 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 47.2 m -120.3 163.5 17.72 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 175.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.61 44.89 1.51 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 118.573 -0.727 . . . . 10.0 110.662 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 6.22 108.91 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 126.679 1.992 . . . . 10.0 114.892 -174.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -56.8 132.65 78.92 Favored Pre-proline 0 N--CA 1.403 -2.823 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.062 -173.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 56.5 Cg_endo -65.87 -1.75 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.808 3.005 . . . . 10.0 113.054 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.11 6.96 38.83 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.0 0.905 . . . . 10.0 109.974 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 46.8 mt -77.21 160.33 29.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.722 0.773 . . . . 10.0 112.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.4 139.98 50.18 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-N 113.895 -1.502 . . . . 10.0 111.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 35' ' ' LEU . 54.8 tp -51.85 -44.36 63.59 Favored 'General case' 0 CA--C 1.498 -1.051 0 C-N-CA 124.621 1.168 . . . . 10.0 111.308 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -66.6 -23.89 66.25 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 119.186 -1.006 . . . . 10.0 110.22 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.312 175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -69.63 -40.91 76.28 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 108.595 -0.891 . . . . 10.0 108.595 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.8 mm? -71.65 -19.42 62.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.852 -1.522 . . . . 10.0 110.783 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -79.53 -49.57 12.05 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.48 168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 34' ' ' LEU . 61.9 mt -48.78 -51.87 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.009 . . . . 10.0 111.595 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 p -53.03 -43.43 47.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 123.772 0.67 . . . . 10.0 111.592 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HA ' HE21 ' A' ' 42' ' ' GLN . 10.5 mm-40 -68.5 -60.1 2.67 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.192 0.597 . . . . 10.0 110.422 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -53.34 -40.99 65.29 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.793 1.237 . . . . 10.0 112.28 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.7 t -68.62 -58.05 4.82 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.139 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.584 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 27.2 pt20 -65.97 -33.5 75.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -173.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.73 67.78 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.173 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -74.85 -32.24 61.85 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 104' ' ' TRP . 6.2 m-20 -64.13 -43.4 95.39 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.01 80.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.242 0.544 . . . . 10.0 110.133 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -74.62 -52.34 12.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.227 -0.897 . . . . 10.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -1.77 30.31 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 76.54 16.67 1.99 Allowed 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 124.689 1.196 . . . . 10.0 110.487 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.3 mp -81.92 136.65 35.3 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.717 -1.583 . . . . 10.0 111.377 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.3 p -118.68 152.65 35.71 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.74 178.46 41.61 Favored Glycine 0 CA--C 1.475 -2.451 0 C-N-CA 118.449 -1.834 . . . . 10.0 114.326 -167.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -166.29 159.1 14.61 Favored 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.712 HD13 ' SD ' ' A' ' 106' ' ' MET . 5.7 tt -130.88 140.59 50.24 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.87 107.53 10.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -117.51 115.75 25.76 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.403 -1.703 . . . . 10.0 106.403 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -128.86 96.75 4.45 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-O 121.22 0.533 . . . . 10.0 110.85 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 68.32 -75.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.67 1.588 . . . . 10.0 113.374 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.53 -32.06 1.08 Allowed Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.175 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.22 125.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 CA-C-O 122.299 1.047 . . . . 10.0 110.455 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.287 1.5 t80 -112.4 108.46 17.62 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 113.924 -1.489 . . . . 10.0 107.89 -175.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -111.21 127.46 55.61 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.53 HE21 ' H6 ' ' A' 1126 ' ' FAD . 4.0 tp-100 -138.96 133.01 31.22 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.725 -1.213 . . . . 10.0 107.725 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -142.84 161.46 38.06 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 172.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -146.54 135.93 22.87 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.508 -177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 31.7 mt-10 -95.03 124.17 38.92 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.777 -1.935 . . . . 10.0 105.777 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.1 175.98 42.74 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 119.556 -1.307 . . . . 10.0 111.424 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 32.3 t-80 -69.48 126.26 92.51 Favored Pre-proline 0 C--O 1.212 -0.871 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 174.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.4 Cg_exo -29.56 -48.28 0.15 Allowed 'Trans proline' 0 C--N 1.374 1.886 1 C-N-CA 126.892 5.061 . . . . 10.0 117.287 -172.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.45 58.91 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.86 76.83 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.641 -1.244 . . . . 10.0 107.641 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.7 t -62.48 -42.37 95.47 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 113.578 -1.647 . . . . 10.0 108.315 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.72 68.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.393 0.886 . . . . 10.0 113.393 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.52 -45.07 92.8 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 39.5 t -58.18 -50.96 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.803 0 CA-C-N 113.859 -1.519 . . . . 10.0 109.902 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 4.4 mmt -53.53 -51.99 61.07 Favored 'General case' 0 C--O 1.19 -2.073 0 C-N-CA 122.874 0.469 . . . . 10.0 112.179 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 t -62.32 -32.55 73.32 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 117.799 0.272 . . . . 10.0 111.711 -177.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -70.55 -53.01 17.75 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 122.133 0.968 . . . . 10.0 109.536 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 85' ' ' HIS . 6.9 mt -58.59 -46.13 90.23 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.911 0 C-N-CA 125.372 1.469 . . . . 10.0 114.233 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 79' ' ' ILE . 30.4 mm-40 -63.18 -9.48 11.24 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 124.936 1.294 . . . . 10.0 113.136 175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 77' ' ' SER . 21.0 mmt180 -94.71 35.49 1.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 169.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 88' ' ' VAL . 63.6 t0 -34.2 152.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.858 2.463 . . . . 10.0 115.943 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 11.4 ptt180 172.54 -30.79 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 111.049 -2.796 . . . . 10.0 106.324 -166.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.02 17.08 22.79 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -138.42 -164.53 1.65 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 102.207 -3.257 . . . . 10.0 102.207 175.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 t -97.72 -48.98 5.01 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 117.345 -1.742 . . . . 10.0 113.416 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -145.73 -11.86 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.459 7.2 p 35.67 86.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 118.741 2.867 . . . . 10.0 118.741 -172.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -102.16 104.62 15.22 Favored 'General case' 0 CA--C 1.47 -2.12 0 CA-C-N 114.657 -1.156 . . . . 10.0 111.556 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.777 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.3 mm -55.25 -75.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.272 -2.768 0 CA-C-N 113.674 -1.603 . . . . 10.0 108.872 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt 62.3 -6.95 0.13 Allowed 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 125.317 1.447 . . . . 10.0 114.243 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.58 117.76 10.12 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 122.178 -0.326 . . . . 10.0 110.127 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -138.01 110.86 7.68 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.59 128.2 52.82 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.778 -175.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 17' ' ' VAL . 27.6 m -69.97 124.34 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 175.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 98' ' ' LYS . 16.4 pt -123.51 172.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 116.282 1.956 . . . . 10.0 116.282 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.05 1.65 31.24 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.634 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 1.6 ttmt 56.38 -162.81 0.17 Allowed 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.074 -2.33 . . . . 10.0 111.784 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 16.7 mmm180 86.59 24.5 0.06 Allowed 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.479 1.112 . . . . 10.0 113.214 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -91.74 -49.58 6.2 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.401 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.259 16.7 m-85 -111.29 -14.33 13.82 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.3 -19.59 0.04 OUTLIER 'General case' 0 N--CA 1.514 2.729 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.08 164.31 30.42 Favored Glycine 0 C--N 1.279 -2.586 0 N-CA-C 106.944 -2.463 . . . . 10.0 106.944 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.604 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 35.6 t90 -84.6 137.38 33.32 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 119.738 1.769 . . . . 10.0 109.317 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.17 154.27 33.58 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.275 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.712 ' SD ' HD13 ' A' ' 54' ' ' LEU . 12.9 tpt -119.7 140.32 50.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 5.7 tp-100 -84.73 -53.75 5.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 120.044 -0.662 . . . . 10.0 110.172 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 108' ' ' LEU . 1.6 pp -131.83 121.92 24.89 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 120.401 -0.52 . . . . 10.0 112.167 -177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.2 p -86.13 -69.62 0.65 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.699 0.285 . . . . 90.0 110.411 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.3 p -78.38 19.97 0.44 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.551 0.74 . . . . 90.0 112.218 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 m 67.77 -78.17 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.925 1.29 . . . . 90.0 109.627 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.8 142.85 10.89 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.791 -0.818 . . . . 90.0 108.791 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -139.4 37.63 2.06 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 104.299 -2.482 . . . . 90.0 104.299 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.97 -60.88 1.69 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.075 -1.875 . . . . 90.0 111.184 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 117' ' ' SER . 97.0 mmm -76.48 -44.63 34.57 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.893 -0.78 . . . . 90.0 108.893 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 66.6 -25.2 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.399 1.48 . . . . 90.0 114.403 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 115' ' ' MET . 12.0 t -81.55 17.99 1.29 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.405 0.682 . . . . 90.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -100.8 15.37 28.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.485 0.714 . . . . 90.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 119.85 5.72 10.7 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.58 -0.819 . . . . 90.0 113.032 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 32.2 tp -94.9 -49.98 5.33 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.587 0.708 . . . . 90.0 109.357 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.59 87.55 4.76 Favored 'General case' 0 N--CA 1.417 -2.094 0 CA-C-N 115.623 -0.717 . . . . 90.0 109.733 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.9 -63.65 1.02 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.975 -1.011 . . . . 90.0 111.154 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.0 t 69.17 144.21 0.05 OUTLIER 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.069 0.947 . . . . 90.0 112.295 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.91 121.94 7.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.377 -0.601 . . . . 90.0 109.377 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.283 -2.283 0 CA-C-N 115.251 -0.886 . . . . 90.0 110.128 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.79 " O5'" H51A ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 106.471 -1.678 . . . . 90.0 106.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.13 151.71 22.52 Favored 'General case' 0 N--CA 1.422 -1.847 0 C-N-CA 120.114 -0.634 . . . . 90.0 109.549 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.55 131.86 34.24 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.507 -0.923 . . . . 90.0 108.507 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.39 144.39 32.72 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.525 -1.287 . . . . 90.0 107.525 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -53.87 -40.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 123.577 0.548 . . . . 90.0 112.428 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.4 p 50.99 171.11 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.762 1.625 . . . . 90.0 115.056 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -99.97 88.33 3.73 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 107.202 -1.407 . . . . 90.0 107.202 171.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -73.84 -47.18 40.27 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.232 -0.894 . . . . 90.0 111.597 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 97' ' ' ALA . . . 107.52 101.93 2.75 Favored Glycine 0 N--CA 1.42 -2.41 0 C-N-CA 120.83 -0.7 . . . . 90.0 112.536 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 m -112.62 -74.43 0.63 Allowed 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 120.294 -0.563 . . . . 90.0 111.954 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.518 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.7 p-10 -116.75 48.08 1.35 Allowed 'General case' 0 N--CA 1.415 -2.186 0 CA-C-O 121.769 0.795 . . . . 10.0 112.298 -168.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 0.8 OUTLIER -117.08 153.0 33.51 Favored 'General case' 0 N--CA 1.39 -3.445 0 CA-C-N 115.177 -0.92 . . . . 10.0 109.829 178.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 95' ' ' SER . 16.9 t -150.28 151.0 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.713 0 C-N-CA 125.899 1.679 . . . . 10.0 107.019 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.0 p -134.09 114.35 13.06 Favored 'General case' 0 C--N 1.275 -2.647 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -88.71 125.62 34.94 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.683 -1.599 . . . . 10.0 106.683 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 42.7 t -116.95 128.69 55.45 Favored 'General case' 0 CA--C 1.468 -2.196 0 N-CA-C 105.859 -1.904 . . . . 10.0 105.859 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.793 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 7.5 p90 -138.63 162.88 33.52 Favored 'General case' 0 N--CA 1.417 -2.086 0 C-N-CA 118.597 -1.241 . . . . 10.0 112.161 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 149.42 46.1 Favored 'General case' 0 N--CA 1.414 -2.227 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 172.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.552 ' OG ' ' HB3' ' A' ' 61' ' ' PHE . 5.3 p -144.31 163.61 33.21 Favored 'General case' 0 N--CA 1.387 -3.593 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -115.26 46.17 1.51 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 13.53 101.27 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 126.264 1.825 . . . . 10.0 114.414 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 148.56 89.99 Favored Pre-proline 0 N--CA 1.438 -1.032 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -168.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.34 -12.57 27.95 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 124.253 3.302 . . . . 10.0 112.328 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -77.14 -10.9 59.7 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.98 -1.464 . . . . 10.0 110.156 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 84' ' ' ARG . 30.3 mt -67.66 143.45 55.98 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 115.922 1.823 . . . . 10.0 115.922 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 139.81 52.37 Favored 'General case' 0 N--CA 1.385 -3.7 0 CA-C-N 111.823 -2.444 . . . . 10.0 108.985 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 tp -54.78 -43.83 73.16 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 123.819 0.7 . . . . 10.0 110.864 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -61.71 -31.63 71.8 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 119.147 -1.021 . . . . 10.0 110.293 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.92 -41.15 87.56 Favored 'General case' 0 C--O 1.205 -1.238 0 CA-C-O 118.631 -0.7 . . . . 10.0 110.682 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -63.92 -39.13 93.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.103 -1.039 . . . . 10.0 109.581 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -66.85 -39.55 87.64 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.092 -1.413 . . . . 10.0 111.651 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -68.78 -38.32 79.92 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 120.204 -0.598 . . . . 10.0 110.56 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 34' ' ' LEU . 69.4 mt -58.06 -58.27 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.652 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 7.1 p -54.57 -52.11 43.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 O-C-N 123.459 0.474 . . . . 10.0 111.785 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -48.74 76.63 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.655 0.782 . . . . 10.0 112.678 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 m -69.84 -36.0 75.2 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 120.95 0.405 . . . . 10.0 111.468 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.7 t -61.52 -53.37 57.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.8 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 1.7 mt-30 -57.21 -47.12 82.1 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.07 -32.62 72.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.061 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -87.09 -44.05 11.83 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.167 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.49 -43.46 85.32 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -35.57 81.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.178 0.513 . . . . 10.0 109.776 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -72.89 -42.9 63.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.725 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.92 -2.86 41.94 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 112.905 0.706 . . . . 10.0 112.905 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 78.28 17.38 1.18 Allowed 'General case' 0 N--CA 1.509 2.511 0 C-N-CA 125.327 1.451 . . . . 10.0 111.161 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 7.1 mp -83.17 125.35 31.44 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 125.552 1.541 . . . . 10.0 111.842 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.5 p -112.09 149.01 32.72 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.999 -1.0 . . . . 10.0 109.538 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.93 178.63 41.64 Favored Glycine 0 CA--C 1.485 -1.843 0 C-N-CA 118.697 -1.716 . . . . 10.0 116.473 -162.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -168.49 156.04 7.91 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 113.678 -1.261 . . . . 10.0 108.155 172.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 1.3 pp -148.45 140.31 23.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 120.053 -0.659 . . . . 10.0 110.017 175.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.62 109.1 13.87 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.854 -177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.44 109.82 22.51 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -125.81 99.9 6.17 Favored 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 120.621 -0.432 . . . . 10.0 112.104 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 66.82 -4.38 0.78 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.176 1.39 . . . . 10.0 113.249 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.67 -27.47 1.63 Allowed Glycine 0 C--N 1.298 -1.554 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.77 131.2 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.347 -0.983 . . . . 10.0 108.347 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' ' OG ' ' A' ' 23' ' ' SER 0.259 0.1 OUTLIER -114.17 109.05 17.79 Favored 'General case' 0 C--N 1.271 -2.826 0 CA-C-N 114.963 -1.017 . . . . 10.0 109.127 -173.468 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -110.29 117.71 34.38 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.53 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.4 OUTLIER -139.65 131.43 27.5 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 -175.52 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.665 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -142.98 165.73 26.57 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.932 -0.707 . . . . 10.0 109.42 172.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.5 pt? -146.58 139.87 25.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 121.144 -0.223 . . . . 10.0 111.417 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 30.6 mt-10 -99.22 125.06 44.74 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.029 -1.471 . . . . 10.0 107.029 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.31 176.0 42.27 Favored Glycine 0 C--N 1.292 -1.878 0 C-N-CA 120.217 -0.992 . . . . 10.0 111.264 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 31.9 t-80 -69.27 128.92 92.25 Favored Pre-proline 0 C--O 1.209 -1.074 0 N-CA-C 107.292 -1.373 . . . . 10.0 107.292 172.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -33.62 -48.61 0.48 Allowed 'Trans proline' 0 C--N 1.369 1.65 1 C-N-CA 125.781 4.321 . . . . 10.0 116.276 -171.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.72 61.84 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.95 63.81 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -63.72 -38.26 81.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.32 0 CA-C-N 113.157 -1.838 . . . . 10.0 107.759 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.929 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.12 97.71 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.061 -1.459 . . . . 10.0 107.061 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 45.2 t -62.01 -52.11 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.749 0 CA-C-N 114.005 -1.452 . . . . 10.0 110.085 172.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 5.3 mmt -50.46 -51.3 48.12 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 123.185 0.594 . . . . 10.0 111.98 175.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.2 t -55.57 -45.14 77.37 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.564 0.54 . . . . 10.0 110.854 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -71.12 -26.66 63.12 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.208 0.528 . . . . 10.0 112.302 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 HG21 ' A' ' 88' ' ' VAL . 2.7 mt -86.54 -48.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -175.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.521 HE21 HG22 ' A' ' 79' ' ' ILE . 28.9 mm-40 -61.57 -18.92 61.34 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.198 1.399 . . . . 10.0 113.48 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -81.44 21.6 0.77 Allowed 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.176 0.989 . . . . 10.0 110.54 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.649 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 2.9 t70 -40.86 155.97 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 118.614 2.82 . . . . 10.0 118.614 176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -179.98 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.84 0 CA-C-N 110.198 -3.183 . . . . 10.0 108.007 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.485 ' HB3' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -146.31 -46.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.005 1.322 . . . . 10.0 110.556 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.649 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -107.86 73.71 0.91 Allowed 'General case' 0 C--N 1.279 -2.47 0 CA-C-O 122.483 1.135 . . . . 10.0 109.046 -175.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.589 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.497 0.3 OUTLIER 15.05 -53.45 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 121.747 3.98 . . . . 10.0 121.747 -165.749 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -145.32 -11.8 0.54 Allowed 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.42 8.1 p 31.82 75.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 116.474 2.027 . . . . 10.0 116.474 -171.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 25.9 mt-10 -95.45 93.57 7.29 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.124 -1.398 . . . . 10.0 108.581 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.793 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 6.2 mm -45.78 -71.17 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.459 0 CA-C-N 113.626 -1.625 . . . . 10.0 107.61 171.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.3 mt 68.84 -23.12 0.14 Allowed 'General case' 0 C--N 1.273 -2.755 0 C-N-CA 125.285 1.434 . . . . 10.0 112.185 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -133.37 113.23 12.33 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.5 . . . . 10.0 110.722 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -121.79 110.38 15.84 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.717 -1.586 . . . . 10.0 106.717 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -125.47 138.33 53.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.562 ' HA ' HG22 ' A' ' 17' ' ' VAL . 41.5 t -77.14 127.16 32.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.0 pt -121.7 171.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.501 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . . . -94.41 -14.6 25.09 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.118 -1.401 . . . . 10.0 111.138 177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 47.81 122.6 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.215 0 C-N-CA 129.162 2.985 . . . . 10.0 115.466 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 27.2 tpt180 161.79 23.38 0.0 OUTLIER 'General case' 0 C--N 1.26 -3.287 0 CA-C-N 111.145 -2.752 . . . . 10.0 109.091 -174.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -81.54 -51.85 7.83 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . 0.273 21.3 m-85 -118.42 -22.66 7.51 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 114.429 1.27 . . . . 10.0 114.429 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 66.24 -8.96 0.32 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.13 155.72 26.29 Favored Glycine 0 C--N 1.305 -1.173 0 N-CA-C 107.489 -2.244 . . . . 10.0 107.489 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.2 t90 -94.18 134.27 36.81 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 120.118 1.959 . . . . 10.0 108.233 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 15.5 m80 -142.66 120.32 11.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -174.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.548 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 27.3 ttt -89.94 129.09 36.33 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -63.54 -66.25 0.57 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.91 84.83 7.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 m -76.01 -25.03 55.33 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.051 0.453 . . . . 90.0 111.641 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.481 ' HA ' HD11 ' A' ' 35' ' ' LEU . 29.8 t -142.87 39.85 1.5 Allowed 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 107.043 -1.466 . . . . 90.0 107.043 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t 69.02 -168.93 0.18 Allowed 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.11 -1.405 . . . . 90.0 107.216 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG2' HD21 ' A' ' 118' ' ' LEU . 1.5 pp20? -82.61 -53.75 5.7 Favored 'General case' 0 N--CA 1.414 -2.23 0 C-N-CA 119.273 -0.971 . . . . 90.0 109.079 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.7 26.25 5.74 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.89 1.276 . . . . 90.0 111.594 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.94 -51.09 2.47 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.019 0.438 . . . . 90.0 110.577 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.9 ptm -106.04 -39.78 5.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.817 -0.629 . . . . 90.0 110.388 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 65.92 -39.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.101 1.36 . . . . 90.0 113.577 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 121' ' ' ALA . 16.0 m -53.37 -6.92 0.08 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.256 1.822 . . . . 90.0 115.471 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.41 HD21 ' HG2' ' A' ' 112' ' ' GLU . 2.2 pp -82.48 -7.45 59.64 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 112.539 0.57 . . . . 90.0 112.539 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 172.43 -34.09 0.13 Allowed Glycine 0 CA--C 1.504 -0.63 0 C-N-CA 120.389 -0.91 . . . . 90.0 112.139 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' A' ' 116' ' ' ARG . 7.4 mp -72.18 -53.67 11.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.685 0.755 . . . . 90.0 109.852 178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 117' ' ' SER . . . -104.69 86.75 2.54 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 115.561 -0.745 . . . . 90.0 110.652 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.39 159.78 36.97 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 103.336 -2.839 . . . . 90.0 103.336 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -76.66 103.15 6.48 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 118.378 0.536 . . . . 90.0 110.587 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -129.55 16.39 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.781 -0.368 . . . . 90.0 111.783 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.942 0 N-CA-C 113.579 0.955 . . . . 90.0 113.579 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.582 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 109.386 -0.598 . . . . 90.0 109.386 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.63 152.86 42.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.267 0.556 . . . . 90.0 111.968 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.32 129.69 34.93 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 115.154 -0.93 . . . . 90.0 108.764 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.27 138.54 49.48 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.407 -0.815 . . . . 90.0 109.677 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 11' ' ' MET . 27.6 m -62.32 -23.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 113.508 0.929 . . . . 90.0 113.508 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.7 p 54.28 71.33 0.53 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.801 1.24 . . . . 90.0 113.548 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.514 ' HG3' HG23 ' A' ' 9' ' ' VAL . 62.7 mtm -86.94 -41.59 13.83 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 114.773 -1.103 . . . . 90.0 108.674 177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 27.6 p -106.21 -177.12 3.27 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 114.309 -1.314 . . . . 90.0 111.018 -178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.03 -128.77 1.01 Allowed Glycine 0 N--CA 1.42 -2.381 0 N-CA-C 109.585 -1.406 . . . . 90.0 109.585 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -160.52 -34.35 0.05 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.907 0.384 . . . . 90.0 111.32 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.595 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.9 p-10 -103.35 42.53 1.16 Allowed 'General case' 0 N--CA 1.402 -2.855 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 -169.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.1 mm? -119.55 147.08 44.89 Favored 'General case' 0 C--N 1.253 -3.599 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.51 172.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -146.87 149.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.38 -3.938 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.671 ' HB2' HD13 ' A' ' 96' ' ' ILE . 16.4 t -133.95 122.07 22.57 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -98.64 126.46 44.24 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 106.645 -1.613 . . . . 10.0 106.645 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 58.3 m -115.88 107.55 15.15 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 106.625 -1.62 . . . . 10.0 106.625 -176.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.26 162.74 17.76 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 119.053 -1.059 . . . . 10.0 112.061 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -128.63 151.44 49.49 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 171.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 88' ' ' VAL . 2.5 p -140.11 166.42 24.71 Favored 'General case' 0 C--N 1.254 -3.572 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 173.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -112.43 45.65 1.27 Allowed 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 119.381 -0.928 . . . . 10.0 111.949 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 9.52 106.69 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.94 2.096 . . . . 10.0 113.712 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 132.82 84.37 Favored Pre-proline 0 N--CA 1.406 -2.657 0 C-N-CA 123.152 0.581 . . . . 10.0 111.413 -168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.48 -14.4 25.25 Favored 'Trans proline' 0 N--CA 1.483 0.87 0 C-N-CA 124.102 3.201 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.5 13.83 33.53 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.538 -1.21 . . . . 10.0 110.148 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 84' ' ' ARG . 12.1 mt -71.17 139.81 50.31 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.33 137.07 41.96 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 113.243 -1.799 . . . . 10.0 111.594 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 35' ' ' LEU . 41.5 tp -59.05 -39.86 83.31 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 123.978 0.911 . . . . 10.0 110.336 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -66.25 -25.29 66.81 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 118.276 -1.37 . . . . 10.0 109.977 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.36 -45.62 72.29 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.448 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.1 mm? -66.09 -36.52 83.39 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 119.399 -0.92 . . . . 10.0 110.452 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -70.18 -36.16 74.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.708 -1.133 . . . . 10.0 111.434 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -38.68 67.29 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.743 -0.783 . . . . 10.0 110.813 172.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 34' ' ' LEU . 46.2 mt -54.6 -56.34 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 123.235 0.614 . . . . 10.0 110.97 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.58 -50.09 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.501 0.501 . . . . 10.0 112.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.21 -40.21 90.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 m -75.55 -35.11 60.74 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.793 0.33 . . . . 10.0 111.787 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -44.52 96.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.619 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 8.2 mt-30 -59.15 -43.1 92.05 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.21 0.529 . . . . 10.0 110.773 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.43 87.78 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.109 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -75.86 -36.14 59.67 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.626 -0.43 . . . . 10.0 109.85 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -71.64 -37.79 70.81 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 120.755 -0.378 . . . . 10.0 111.928 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.79 88.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.729 0.776 . . . . 10.0 109.006 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -65.58 -54.41 28.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 10.0 110.434 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.26 -1.15 35.21 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 70.67 27.11 3.76 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.727 1.211 . . . . 10.0 111.179 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 9.8 mp -84.45 128.11 34.4 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.118 -1.855 . . . . 10.0 111.672 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.5 p -110.9 149.22 30.94 Favored 'General case' 0 N--CA 1.416 -2.17 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.525 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 179.36 41.28 Favored Glycine 0 CA--C 1.486 -1.741 0 C-N-CA 118.576 -1.773 . . . . 10.0 115.148 -163.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -169.73 167.05 9.61 Favored 'General case' 0 C--N 1.282 -2.353 0 C-N-CA 124.597 1.159 . . . . 10.0 108.007 173.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 106' ' ' MET . 3.9 pp -152.45 150.98 30.22 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.79 115.22 18.32 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' HB3' ' NE2' ' A' ' 107' ' ' GLN . 0.3 OUTLIER -105.5 111.63 24.41 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.344 -1.724 . . . . 10.0 106.344 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.1 m -115.27 90.21 3.28 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.181 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 64.28 -65.78 0.13 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.857 1.663 . . . . 10.0 113.248 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.92 -21.22 1.25 Allowed Glycine 0 C--N 1.297 -1.623 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.407 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -91.62 133.92 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.723 0.773 . . . . 10.0 109.942 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' ARG 0.275 0.1 OUTLIER -111.38 109.51 19.53 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.843 -1.071 . . . . 10.0 108.833 -176.537 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -108.41 119.18 38.75 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.53 ' NE2' ' HE1' ' A' ' 104' ' ' TRP . 10.3 tm0? -138.29 129.92 27.9 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.15 -1.426 . . . . 10.0 107.15 -173.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -142.81 162.33 35.76 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 118.667 -1.213 . . . . 10.0 110.251 175.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -147.01 140.61 25.66 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -177.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 50' ' ' LEU . 28.8 mt-10 -101.31 125.21 47.92 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.58 175.6 42.52 Favored Glycine 0 C--N 1.292 -1.906 0 C-N-CA 118.971 -1.585 . . . . 10.0 111.732 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 27.2 t-80 -70.28 129.4 90.5 Favored Pre-proline 0 C--O 1.205 -1.277 0 N-CA-C 108.226 -1.027 . . . . 10.0 108.226 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.5 Cg_exo -33.54 -46.59 0.4 Allowed 'Trans proline' 0 C--N 1.38 2.196 1 C-N-CA 126.043 4.496 . . . . 10.0 116.724 -171.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.67 -27.54 50.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 48' ' ' ALA . . . -68.47 -41.8 79.62 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.223 -1.399 . . . . 10.0 107.223 176.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 68' ' ' HIS . 3.0 t -61.84 -42.83 96.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-N 113.077 -1.874 . . . . 10.0 108.386 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.41 -35.67 71.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.48 -39.26 83.16 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.765 -1.198 . . . . 10.0 107.765 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.91 -48.58 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.334 -1.303 . . . . 10.0 110.279 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 5.8 mmt -51.97 -50.09 61.94 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 123.159 0.584 . . . . 10.0 111.968 174.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.714 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 51.1 m -56.77 -45.72 81.94 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.102 0.251 . . . . 10.0 111.013 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.46 -37.39 83.41 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.779 0.8 . . . . 10.0 111.605 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.563 HG22 HE21 ' A' ' 80' ' ' GLN . 11.2 mt -81.45 -48.48 18.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.563 HE21 HG22 ' A' ' 79' ' ' ILE . 32.3 mm-40 -63.09 -13.2 33.35 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 125.049 1.339 . . . . 10.0 114.005 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' A' ' 77' ' ' SER . 10.7 mpt_? -86.9 24.55 1.48 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.534 0.683 . . . . 10.0 109.713 172.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.271 0.7 OUTLIER -29.83 157.13 0.0 OUTLIER 'General case' 0 C--O 1.247 0.953 0 N-CA-C 119.057 2.984 . . . . 10.0 119.057 176.822 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HD2' ' O1A' ' A' 1126 ' ' FAD . 13.4 ptp180 176.81 -24.31 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 110.899 -2.864 . . . . 10.0 107.887 -168.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HA ' HD21 ' A' ' 29' ' ' LEU . 1.1 mpp_? -117.45 20.87 13.39 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 114.828 1.418 . . . . 10.0 114.828 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.54 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -167.12 89.98 0.35 Allowed 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 121.079 -1.013 . . . . 10.0 111.258 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU 0.442 3.9 m 2.64 -64.08 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 121.735 3.976 . . . . 10.0 121.735 -165.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -138.12 -9.85 1.52 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.738 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.457 7.1 p 29.07 77.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 116.959 2.207 . . . . 10.0 116.959 -169.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 5.4 mt-10 -97.09 91.49 5.59 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 113.393 -1.73 . . . . 10.0 108.744 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.764 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.8 mm -45.3 -72.73 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.446 0 CA-C-N 113.526 -1.67 . . . . 10.0 107.975 172.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 91.8 mt 67.53 -24.19 0.12 Allowed 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.426 1.49 . . . . 10.0 113.041 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -128.11 113.7 16.09 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.489 -0.559 . . . . 10.0 109.489 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.21 111.62 9.81 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.02 143.33 50.83 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.645 -0.707 . . . . 10.0 111.161 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.8 m -76.09 127.38 32.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 18' ' ' SER . 15.0 pt -119.5 172.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 115.019 1.489 . . . . 10.0 115.019 -173.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 12' ' ' THR . . . -101.34 -4.8 26.35 Favored 'General case' 0 CA--C 1.48 -1.728 0 CA-C-N 114.925 -1.034 . . . . 10.0 109.833 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.3 ttmt 53.46 -165.17 0.08 Allowed 'General case' 0 N--CA 1.391 -3.416 0 CA-C-N 112.366 -2.197 . . . . 10.0 112.216 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 83.18 26.17 0.12 Allowed 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.541 1.536 . . . . 10.0 110.525 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -86.61 -53.84 4.73 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.902 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 103' ' ' GLY . 15.6 m-85 -106.16 -12.44 15.75 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 114.275 1.213 . . . . 10.0 114.275 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.25 -15.41 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.82 165.0 30.96 Favored Glycine 0 C--N 1.297 -1.608 0 N-CA-C 107.833 -2.107 . . . . 10.0 107.833 172.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 37.4 t90 -88.71 136.74 32.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.482 1.641 . . . . 10.0 108.971 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.553 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 77.4 m80 -126.43 125.96 43.03 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 111.814 0.302 . . . . 10.0 111.814 -172.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.486 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.14 139.25 39.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 105.961 -1.866 . . . . 10.0 105.961 174.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 56' ' ' TYR . 13.7 pt20 -70.06 -29.38 66.39 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.833 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 tp -94.15 20.64 7.76 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.401 0.62 . . . . 10.0 110.524 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.2 p -69.26 -39.31 78.51 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-O 121.76 0.79 . . . . 90.0 109.508 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.79 -170.34 1.92 Allowed 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 114.322 -1.308 . . . . 90.0 109.658 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 t -142.63 -48.55 0.34 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.102 -1.444 . . . . 90.0 107.102 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.413 ' HB2' HD11 ' A' ' 118' ' ' LEU . 25.7 mt-10 49.96 77.07 0.12 Allowed 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.1 1.76 . . . . 90.0 113.89 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.58 -13.75 61.47 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.005 -0.998 . . . . 90.0 110.039 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.06 -40.16 87.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.912 -1.04 . . . . 90.0 109.11 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' SER . 64.1 mtt -91.4 -59.79 2.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.425 -0.807 . . . . 90.0 112.081 -174.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 69.22 -20.64 0.16 Allowed 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 125.096 1.358 . . . . 90.0 111.816 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' MET . 32.9 t -85.42 18.45 2.71 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.631 1.573 . . . . 90.0 111.422 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 112' ' ' GLU . 84.3 mt -79.38 -51.94 8.73 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.762 -0.829 . . . . 90.0 108.762 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.73 39.66 0.06 OUTLIER Glycine 0 N--CA 1.429 -1.828 0 N-CA-C 108.794 -1.722 . . . . 90.0 108.794 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.3 mp -113.85 -74.16 0.63 Allowed 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.497 -0.351 . . . . 90.0 110.605 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.6 80.85 0.06 Allowed 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.528 1.142 . . . . 90.0 111.159 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -154.63 122.62 5.9 Favored 'General case' 0 N--CA 1.421 -1.883 0 CA-C-N 114.656 -1.157 . . . . 90.0 109.515 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.3 p -156.39 121.41 4.67 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.102 -1.073 . . . . 90.0 108.102 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 136.17 15.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 120.351 -0.54 . . . . 90.0 111.253 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.288 -2.092 0 CA-C-N 114.462 -1.245 . . . . 90.0 111.48 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.564 ' N3A' ' H2B' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.497 -1.073 0 N-CA-C 109.743 -0.466 . . . . 90.0 109.743 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.36 154.93 38.77 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 123.615 0.766 . . . . 90.0 111.237 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 135.72 57.6 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.194 -1.039 . . . . 90.0 108.194 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.17 -74.17 0.2 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.747 -0.464 . . . . 90.0 109.747 -174.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.7 m -138.37 1.55 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.227 0 C-N-CA 123.11 0.564 . . . . 90.0 111.465 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p 56.9 -99.58 0.1 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 123.929 0.892 . . . . 90.0 111.159 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 84.0 mtp -122.5 -68.08 0.91 Allowed 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 108.309 -0.997 . . . . 90.0 108.309 170.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p 42.9 -94.49 0.02 OUTLIER 'General case' 0 C--O 1.242 0.704 0 N-CA-C 115.361 1.615 . . . . 90.0 115.361 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.39 164.44 30.47 Favored Glycine 0 N--CA 1.416 -2.642 0 N-CA-C 108.881 -1.688 . . . . 90.0 108.881 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m -145.13 -157.08 0.76 Allowed 'General case' 0 N--CA 1.398 -3.051 0 N-CA-C 106.532 -1.655 . . . . 90.0 106.532 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 6.5 p-10 -93.82 42.38 1.1 Allowed 'General case' 0 N--CA 1.41 -2.463 0 CA-C-O 122.044 0.926 . . . . 10.0 110.366 -176.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.0 mm? -120.07 156.31 31.23 Favored 'General case' 0 N--CA 1.382 -3.839 0 CA-C-N 113.981 -1.463 . . . . 10.0 108.61 175.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 95' ' ' SER . 14.3 t -150.95 148.75 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.803 0 C-N-CA 125.825 1.65 . . . . 10.0 107.435 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 66.4 m -117.93 121.32 40.37 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 123.836 0.854 . . . . 10.0 109.35 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.33 116.51 32.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 105.588 -2.005 . . . . 10.0 105.588 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 34.7 m -108.2 106.85 17.21 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.103 -1.814 . . . . 10.0 106.103 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.751 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 18.8 p90 -113.64 140.07 48.51 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -171.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 139.4 33.71 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.786 -1.552 . . . . 10.0 108.099 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 50.0 m -153.28 -179.43 7.72 Favored 'General case' 0 C--N 1.283 -2.299 0 O-C-N 121.584 -0.697 . . . . 10.0 110.296 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.06 156.37 31.09 Favored 'General case' 0 C--N 1.272 -2.792 0 N-CA-C 104.197 -2.52 . . . . 10.0 104.197 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.52 136.04 39.21 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 105.653 -1.98 . . . . 10.0 105.653 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -64.61 124.9 87.48 Favored Pre-proline 0 N--CA 1.414 -2.275 0 C-N-CA 118.659 -1.216 . . . . 10.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 36.3 Cg_endo -59.78 -3.97 2.44 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 C-N-CA 124.41 3.407 . . . . 10.0 114.996 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.55 11.67 22.92 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 122.36 1.076 . . . . 10.0 109.578 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.79 155.65 22.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.513 -1.221 . . . . 10.0 114.066 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -119.51 147.54 44.32 Favored 'General case' 0 N--CA 1.385 -3.71 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.59 -179.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 35' ' ' LEU . 51.0 tp -52.98 -45.31 67.74 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.272 1.029 . . . . 10.0 110.823 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -66.21 -20.78 66.23 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 119.195 -1.002 . . . . 10.0 110.093 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 30' ' ' THR . 1.2 m-20 -77.4 -36.98 52.84 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.777 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.5 mm? -70.25 -36.88 74.75 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.214 -0.995 . . . . 10.0 108.378 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.1 mm? -72.81 -24.09 60.86 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 113.752 -1.567 . . . . 10.0 110.922 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.94 -47.59 20.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 34' ' ' LEU . 45.7 mt -47.2 -57.8 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 124.37 1.044 . . . . 10.0 110.716 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.7 p -57.17 -46.95 84.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 123.735 0.647 . . . . 10.0 111.96 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.6 -60.1 4.34 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -61.18 -34.12 74.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.112 -176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -61.54 -53.58 54.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 10.4 mt-30 -61.49 -47.3 86.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 122.763 0.425 . . . . 10.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.97 69.64 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.22 -0.9 . . . . 10.0 112.862 -174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -91.94 -42.96 9.73 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.26 -42.82 99.19 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 112.501 0.556 . . . . 10.0 112.501 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.02 99.57 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -65.25 -49.24 70.36 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.79 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.53 -1.99 36.54 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.213 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 75.4 25.19 1.29 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.802 1.241 . . . . 10.0 111.765 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 8.0 mp -87.38 141.46 28.61 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 113.423 -1.717 . . . . 10.0 111.76 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 65.1 p -120.98 151.49 39.67 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 123.669 0.787 . . . . 10.0 108.9 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.46 178.87 41.79 Favored Glycine 0 CA--C 1.499 -0.909 0 C-N-CA 118.599 -1.762 . . . . 10.0 115.849 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -160.76 155.26 23.5 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 114.332 -0.934 . . . . 10.0 108.914 171.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 63' ' ' GLN . 2.3 tm? -130.89 131.19 44.37 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.57 119.69 30.63 Favored 'General case' 0 N--CA 1.421 -1.89 0 O-C-N 124.121 0.888 . . . . 10.0 108.801 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.53 106.98 16.01 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 105.572 -2.01 . . . . 10.0 105.572 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.471 ' O ' HG22 ' A' ' 60' ' ' VAL . 48.2 t -108.8 96.88 6.63 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.885 -173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 68.55 -12.78 0.34 Allowed 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.84 -21.99 1.01 Allowed Glycine 0 C--N 1.304 -1.249 0 N-CA-C 110.423 -1.071 . . . . 10.0 110.423 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 57' ' ' SER . 14.2 m -88.47 144.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 177.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.5 OUTLIER -100.81 143.45 30.95 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -141.46 117.17 10.35 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 10.0 108.868 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' NE2' ' H6 ' ' A' 1126 ' ' FAD . 36.4 tt0 -138.5 143.68 39.66 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -142.95 155.74 44.75 Favored 'General case' 0 N--CA 1.397 -3.113 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 173.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -137.87 142.9 40.69 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.015 0.436 . . . . 10.0 111.366 -179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' HG2' ' A' ' 98' ' ' LYS . 24.7 mt-10 -100.0 124.21 45.1 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 106.166 -1.791 . . . . 10.0 106.166 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.92 175.28 42.81 Favored Glycine 0 C--N 1.284 -2.35 0 C-N-CA 119.795 -1.193 . . . . 10.0 110.444 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.624 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 29.8 t-80 -69.55 128.83 91.95 Favored Pre-proline 0 C--O 1.196 -1.742 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.9 Cg_exo -33.13 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.372 1.809 1 C-N-CA 126.024 4.482 . . . . 10.0 116.134 -171.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.76 59.47 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.82 67.87 Favored 'General case' 0 C--N 1.279 -2.471 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.8 t -59.59 -43.8 91.85 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.563 0 CA-C-N 113.403 -1.726 . . . . 10.0 107.667 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.57 70.16 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.89 -43.87 94.53 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.8 t -60.43 -52.37 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.527 0 CA-C-N 114.039 -1.437 . . . . 10.0 109.955 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.0 mmt -51.05 -51.49 52.7 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.094 -0.479 . . . . 10.0 111.571 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 m -53.8 -40.6 66.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.383 0.427 . . . . 10.0 110.607 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -71.13 -46.94 60.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 75' ' ' VAL . 5.0 mt -77.2 -25.22 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 76' ' ' MET . 26.2 mm-40 -78.35 -18.29 55.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 121.53 -0.731 . . . . 10.0 110.908 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -101.31 29.24 4.86 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 25.2 t70 -78.52 -151.94 0.06 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.563 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER 170.23 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.502 0.721 . . . . 10.0 110.559 -160.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -69.68 -53.72 17.24 Favored 'General case' 0 C--O 1.189 -2.127 0 N-CA-C 105.996 -1.853 . . . . 10.0 105.996 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -92.22 174.67 7.18 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 114.352 -1.295 . . . . 10.0 111.258 -177.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -116.3 120.26 38.34 Favored 'General case' 0 N--CA 1.383 -3.817 0 CA-C-N 114.386 -1.279 . . . . 10.0 114.39 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.334 38.0 m-80 77.2 -42.51 0.41 Allowed 'General case' 0 CA--C 1.471 -2.073 0 C-N-CA 128.619 2.768 . . . . 10.0 116.152 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.624 ' HA ' ' OG ' ' A' ' 23' ' ' SER 0.334 8.5 p 34.77 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.592 0 N-CA-C 115.933 1.827 . . . . 10.0 115.933 -173.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' HG3' ' HG ' ' A' ' 91' ' ' LEU . 5.1 tp10 -123.15 97.08 5.26 Favored 'General case' 0 N--CA 1.393 -3.315 0 C-N-CA 119.218 -0.993 . . . . 10.0 110.229 -176.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.751 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.9 mm -38.03 -73.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 112.078 -2.328 . . . . 10.0 109.625 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' A' ' 89' ' ' GLU . 97.2 mt 71.84 -26.35 0.18 Allowed 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 125.05 1.34 . . . . 10.0 112.335 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.47 114.05 13.85 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.192 -0.603 . . . . 10.0 111.262 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -126.79 111.48 14.26 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -123.94 135.61 53.79 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.19 -173.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 17' ' ' VAL . 7.3 m -75.85 124.81 27.93 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 122.925 0.49 . . . . 10.0 110.673 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.0 pt -123.45 178.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 115.343 1.608 . . . . 10.0 115.343 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.23 -1.24 16.19 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 114.744 -1.116 . . . . 10.0 109.41 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER 60.7 -163.92 0.24 Allowed 'General case' 0 N--CA 1.387 -3.593 0 CA-C-N 112.04 -2.345 . . . . 10.0 112.134 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 0.8 OUTLIER 80.79 41.14 0.06 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.434 1.493 . . . . 10.0 109.015 177.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -96.42 -60.44 1.62 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.399 -0.818 . . . . 10.0 110.101 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.64 -14.8 15.49 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 113.889 1.07 . . . . 10.0 113.889 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.21 -13.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.502 1.668 . . . . 10.0 115.502 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.22 30.58 Favored Glycine 0 C--N 1.296 -1.654 0 N-CA-C 107.655 -2.178 . . . . 10.0 107.655 172.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 29.0 t90 -87.96 138.14 31.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.652 1.726 . . . . 10.0 109.049 175.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -123.88 156.65 35.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.225 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.98 129.14 29.58 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -50.54 -33.93 23.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.947 1.299 . . . . 10.0 112.952 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.0 tp -50.66 -40.92 54.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.674 0.79 . . . . 10.0 110.58 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.0 p 45.13 -91.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.166 1.543 . . . . 90.0 115.166 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.6 p -124.32 7.5 8.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.866 0.467 . . . . 90.0 111.568 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . 0.253 52.3 p 60.76 129.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.997 1.719 . . . . 90.0 114.12 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 115' ' ' MET . 2.4 mp0 -84.22 12.29 6.82 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 114.747 1.388 . . . . 90.0 114.747 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.53 -14.82 61.74 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.105 -0.702 . . . . 90.0 109.105 174.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.49 -41.48 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.751 -1.113 . . . . 90.0 111.305 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 26.3 ptm -71.18 -21.88 62.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 119.931 -0.708 . . . . 90.0 110.264 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 69.13 -58.81 0.49 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.688 1.595 . . . . 90.0 113.134 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 31.1 t -62.69 -2.37 1.11 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.326 1.85 . . . . 90.0 115.38 -171.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 112' ' ' GLU . 1.1 pp -76.21 -22.64 55.02 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 118.612 -1.235 . . . . 90.0 113.153 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -178.26 -30.48 0.05 OUTLIER Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.661 -1.257 . . . . 90.0 112.707 -175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.68 -48.93 52.25 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.917 -1.142 . . . . 90.0 107.917 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -93.15 88.93 6.25 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.745 -1.576 . . . . 90.0 106.745 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -133.4 149.28 51.82 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 114.173 -1.376 . . . . 90.0 108.372 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 p -79.98 94.19 5.86 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 109.246 -0.649 . . . . 90.0 109.246 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.588 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -94.6 -9.98 33.4 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.843 -0.617 . . . . 90.0 109.827 -179.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 . . . . . 0 C--O 1.248 0.993 0 C-N-CA 125.751 1.62 . . . . 90.0 113.645 -179.56 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.557 ' H6 ' ' NE2' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 107.98 -1.118 . . . . 90.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.5 155.57 39.66 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.149 0.5 . . . . 90.0 111.173 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 136.94 54.15 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.013 -0.994 . . . . 90.0 110.76 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.56 146.92 29.89 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.304 -0.862 . . . . 90.0 109.279 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -60.18 -26.41 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 N-CA-C 113.722 1.008 . . . . 90.0 113.722 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 p 61.02 169.11 0.1 Allowed 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.222 1.809 . . . . 90.0 113.421 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -141.93 122.05 13.8 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.976 -1.12 . . . . 90.0 107.976 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -113.63 165.67 12.29 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.053 -0.521 . . . . 90.0 111.215 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 107.33 0.52 Allowed Glycine 0 N--CA 1.414 -2.78 0 N-CA-C 109.837 -1.305 . . . . 90.0 109.837 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -90.51 -36.27 14.6 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.464 0.65 . . . . 90.0 111.769 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 4.2 p-10 -120.29 53.32 1.09 Allowed 'General case' 0 N--CA 1.395 -3.208 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -172.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.2 mm? -120.28 156.4 31.32 Favored 'General case' 0 N--CA 1.396 -3.134 0 CA-C-N 114.349 -1.296 . . . . 10.0 108.243 168.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 95' ' ' SER . 13.0 t -149.18 150.08 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.56 0 C-N-CA 125.083 1.353 . . . . 10.0 108.107 -175.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 49.7 m -124.32 115.05 20.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 124.062 0.945 . . . . 10.0 110.461 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.8 m -96.74 114.61 26.26 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 44.0 m -107.19 108.66 20.21 Favored 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 106.679 -1.6 . . . . 10.0 106.679 -174.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.1 p90 -121.28 158.87 27.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.005 -1.078 . . . . 10.0 113.107 -172.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 152.87 36.73 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 108.52 -0.918 . . . . 10.0 108.52 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 48.8 m -145.18 160.74 40.98 Favored 'General case' 0 C--N 1.271 -2.844 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.87 41.69 1.55 Allowed 'General case' 0 C--N 1.273 -2.735 0 CA-C-O 118.695 -0.669 . . . . 10.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 15.01 104.19 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.911 0 C-N-CA 126.525 1.93 . . . . 10.0 113.695 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 86' ' ' SER . . . -65.06 148.25 97.96 Favored Pre-proline 0 N--CA 1.436 -1.143 0 C-N-CA 120.004 -0.678 . . . . 10.0 112.471 -169.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -62.95 -12.13 27.95 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 124.247 3.298 . . . . 10.0 111.902 173.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.83 -7.33 50.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 126.489 1.915 . . . . 10.0 109.901 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 84' ' ' ARG . 38.6 mt -82.34 159.68 23.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.455 1.121 . . . . 10.0 113.816 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 33' ' ' ASP . 1.5 p -138.58 162.2 35.17 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-N 113.368 -1.742 . . . . 10.0 108.046 173.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 60.7 tp -59.29 -41.04 88.0 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 27.0 tpt180 -67.61 -29.61 68.99 Favored 'General case' 0 C--O 1.201 -1.455 0 C-N-CA 117.051 -1.859 . . . . 10.0 109.873 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.62 ' OD1' ' HD3' ' A' ' 84' ' ' ARG . 5.4 t0 -65.79 -40.42 91.92 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -65.59 -41.38 92.91 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 118.69 -1.204 . . . . 10.0 109.922 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 mm? -69.95 -25.99 63.91 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.254 -1.339 . . . . 10.0 111.121 -178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -48.95 31.27 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.177 171.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 34' ' ' LEU . 51.7 mt -50.03 -55.62 5.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.479 1.112 . . . . 10.0 110.816 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 10.7 p -61.16 -40.68 86.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 O-C-N 123.478 0.486 . . . . 10.0 110.972 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.62 -44.82 96.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.298 0.639 . . . . 10.0 111.238 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -74.23 -33.09 63.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.658 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -59.98 -55.32 35.46 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 114.051 1.13 . . . . 10.0 114.051 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.661 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -55.04 -43.13 73.5 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 118.644 0.656 . . . . 10.0 111.293 -175.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.94 66.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.363 -0.835 . . . . 10.0 112.717 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.82 -37.39 11.25 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.504 -0.878 . . . . 10.0 110.959 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.661 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 1.8 p-10 -69.98 -40.1 75.56 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.08 -1.048 . . . . 10.0 110.681 -177.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.07 99.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.285 0.564 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -65.64 -48.25 72.84 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.677 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.1 0.08 29.5 Favored 'General case' 0 N--CA 1.426 -1.664 0 C-N-CA 118.808 -1.157 . . . . 10.0 113.153 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 73.35 24.92 2.27 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.653 1.181 . . . . 10.0 110.941 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 65' ' ' LEU . 7.7 mp -85.65 132.16 34.21 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.719 -1.582 . . . . 10.0 110.929 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 48.8 p -116.65 152.12 34.9 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.82 178.83 41.49 Favored Glycine 0 C--N 1.292 -1.868 0 C-N-CA 118.593 -1.765 . . . . 10.0 114.574 -165.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.63 151.66 5.32 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 124.064 0.946 . . . . 10.0 108.946 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -140.68 140.96 35.04 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 120.462 -0.495 . . . . 10.0 109.682 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -117.31 107.31 14.24 Favored 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.1 106.53 18.27 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 104.504 -2.406 . . . . 10.0 104.504 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 p -112.25 97.71 6.82 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.161 0.288 . . . . 10.0 111.201 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 69.44 -57.28 0.54 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.703 1.601 . . . . 10.0 112.243 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.67 -36.36 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 112.084 -0.406 . . . . 10.0 112.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.31 130.32 36.24 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 119.661 -0.816 . . . . 10.0 111.722 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.2 OUTLIER -93.52 130.95 39.19 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.598 -1.183 . . . . 10.0 110.496 177.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -125.47 118.21 25.33 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 106.659 -1.608 . . . . 10.0 106.659 165.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -138.62 128.59 25.31 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 -173.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -141.92 160.14 40.81 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 119.07 -1.052 . . . . 10.0 109.193 174.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.7 pt? -143.04 145.21 32.69 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 120.917 0.389 . . . . 10.0 111.545 -177.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 26.9 mt-10 -103.13 124.17 48.06 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 106.011 -1.848 . . . . 10.0 106.011 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.85 174.81 42.83 Favored Glycine 0 C--N 1.288 -2.124 0 C-N-CA 119.266 -1.445 . . . . 10.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 28.8 t-80 -70.05 128.4 91.65 Favored Pre-proline 0 C--O 1.205 -1.266 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -31.81 -53.61 0.31 Allowed 'Trans proline' 0 C--N 1.369 1.611 1 C-N-CA 125.659 4.239 . . . . 10.0 116.566 -171.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.09 63.93 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 114.341 1.237 . . . . 10.0 114.341 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.46 68.06 Favored 'General case' 0 C--N 1.276 -2.592 0 N-CA-C 108.115 -1.069 . . . . 10.0 108.115 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -64.73 -39.31 85.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 113.67 -1.605 . . . . 10.0 107.741 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.02 71.32 Favored 'General case' 0 C--O 1.198 -1.638 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.68 -44.81 93.46 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 105.883 -1.895 . . . . 10.0 105.883 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 44.3 t -58.95 -53.07 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 CA-C-N 113.441 -1.709 . . . . 10.0 109.769 172.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mmt -51.82 -51.63 55.09 Favored 'General case' 0 C--O 1.186 -2.282 0 C-N-CA 123.319 0.648 . . . . 10.0 112.268 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 m -57.39 -41.89 81.16 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -73.92 -42.8 60.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 117.891 -1.523 . . . . 10.0 110.495 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG22 HE21 ' A' ' 80' ' ' GLN . 4.8 mt -59.55 -48.15 88.34 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.1 0 N-CA-C 113.042 0.756 . . . . 10.0 113.042 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.645 HE21 HG22 ' A' ' 79' ' ' ILE . 25.0 mm-40 -71.11 -2.85 17.08 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.357 1.063 . . . . 10.0 113.022 177.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -109.19 15.89 22.88 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.579 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.3 t0 -85.47 -151.46 0.14 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.719 0.771 . . . . 10.0 111.39 -175.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -173.84 -36.31 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 125.848 1.659 . . . . 10.0 110.123 -170.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HB3' HD21 ' A' ' 29' ' ' LEU . 42.5 mtt180 -60.48 -53.9 52.01 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 125.481 1.512 . . . . 10.0 110.44 -176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -86.64 99.5 11.78 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 107.703 -1.221 . . . . 10.0 107.703 173.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 6.1 t -16.91 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 128.178 2.591 . . . . 10.0 117.55 -165.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -120.92 -21.35 6.58 Favored 'General case' 0 C--N 1.273 -2.746 0 C-N-CA 120.149 -0.62 . . . . 10.0 111.93 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.474 7.3 p 35.67 79.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.274 -2.7 0 N-CA-C 116.427 2.01 . . . . 10.0 116.427 -165.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.4 mt-10 -100.36 96.7 7.6 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.379 -1.282 . . . . 10.0 108.481 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.804 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -45.39 -73.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.486 -1.516 0 CA-C-N 114.108 -1.406 . . . . 10.0 108.527 172.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 87.2 mt 72.2 -26.87 0.18 Allowed 'General case' 0 C--N 1.275 -2.67 0 C-N-CA 125.338 1.455 . . . . 10.0 112.177 175.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -128.21 113.84 16.21 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 121.96 -0.463 . . . . 10.0 110.462 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -128.67 111.29 13.01 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.491 . . . . 10.0 106.973 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.26 146.13 49.68 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.939 -176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' VAL . 22.3 m -83.54 124.22 30.53 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.554 HD13 ' OG ' ' A' ' 18' ' ' SER . 18.1 pt -118.62 175.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.03 -3.18 20.32 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 114.882 -1.054 . . . . 10.0 110.628 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER 56.15 -162.61 0.17 Allowed 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 112.206 -2.27 . . . . 10.0 112.285 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.0 tpt180 86.27 34.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 125.611 1.565 . . . . 10.0 110.151 175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -102.06 -47.92 4.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 103' ' ' GLY . 18.4 m-85 -107.5 -16.29 14.4 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.18 -16.8 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 115.581 1.697 . . . . 10.0 115.581 177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -152.25 165.41 30.82 Favored Glycine 0 C--N 1.295 -1.739 0 N-CA-C 108.077 -2.009 . . . . 10.0 108.077 173.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 30.6 t90 -87.35 136.76 32.81 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 118.769 1.285 . . . . 10.0 109.93 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 80.9 m80 -122.43 141.69 51.34 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.422 -172.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.528 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 26.9 ttt -120.57 119.58 33.33 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.886 -0.726 . . . . 10.0 109.734 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -71.5 -31.18 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.304 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.13 86.22 2.98 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.572 -0.451 . . . . 10.0 110.393 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.4 t -104.94 -7.17 19.49 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.5 -1.296 . . . . 90.0 107.5 174.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -173.0 142.48 1.07 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 105.55 -2.019 . . . . 90.0 105.55 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 m -61.77 -55.98 24.35 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.155 -1.424 . . . . 90.0 107.155 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.07 -44.69 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 127.726 2.41 . . . . 90.0 107.256 174.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.92 28.03 6.14 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.667 1.587 . . . . 90.0 112.634 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.69 -39.12 0.89 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.673 0.749 . . . . 90.0 110.424 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.8 ttm -97.3 -38.09 9.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.334 -0.988 . . . . 90.0 108.334 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' HG3' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER 67.93 -1.79 1.63 Allowed 'General case' 0 C--O 1.25 1.112 0 C-N-CA 125.331 1.453 . . . . 90.0 113.857 177.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.5 m -71.85 -3.15 20.68 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.778 0.831 . . . . 90.0 113.201 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -73.78 -20.18 60.56 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.312 -0.625 . . . . 90.0 109.312 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.98 37.02 0.41 Allowed Glycine 0 N--CA 1.426 -2.025 0 CA-C-N 115.57 -0.741 . . . . 90.0 112.295 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.442 HD23 ' HG3' ' A' ' 116' ' ' ARG . 24.9 tp -105.68 -42.73 5.1 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.619 -0.882 . . . . 90.0 108.619 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.15 86.11 6.45 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.574 0.702 . . . . 90.0 109.434 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -121.11 153.26 37.7 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 107.445 -1.317 . . . . 90.0 107.445 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -76.75 90.1 3.42 Favored 'General case' 0 N--CA 1.421 -1.879 0 N-CA-C 105.558 -2.016 . . . . 90.0 105.558 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.592 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -65.55 -26.62 67.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.425 -1.261 . . . . 90.0 114.047 -173.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.309 -1.174 0 N-CA-C 109.091 -0.707 . . . . 90.0 109.091 178.585 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.55 ' H6 ' ' HG3' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.493 -1.223 0 N-CA-C 108.758 -0.83 . . . . 90.0 108.758 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -69.41 147.56 50.83 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 109.47 -0.567 . . . . 90.0 109.47 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 137.9 47.43 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.413 -0.812 . . . . 90.0 110.251 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -90.53 151.37 21.37 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.128 -1.434 . . . . 90.0 107.128 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.56 -38.44 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 112.92 0.711 . . . . 90.0 112.92 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.5 p 50.86 -174.9 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.278 1.431 . . . . 90.0 113.98 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 3.1 mpp? -82.68 82.37 8.07 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 108.84 -0.8 . . . . 90.0 108.84 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -105.2 -83.83 0.5 Allowed 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 114.991 -1.004 . . . . 90.0 111.111 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 123.69 1.12 Allowed Glycine 0 N--CA 1.425 -2.038 0 N-CA-C 108.033 -2.027 . . . . 90.0 108.033 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -148.65 -166.25 2.5 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 106.695 -1.594 . . . . 90.0 106.695 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 9.7 p-10 -105.19 46.92 0.89 Allowed 'General case' 0 C--N 1.274 -2.681 0 C-N-CA 124.838 1.255 . . . . 10.0 111.147 -174.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -113.48 163.06 15.39 Favored 'General case' 0 N--CA 1.38 -3.962 0 CA-C-N 114.133 -1.394 . . . . 10.0 108.97 174.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 95' ' ' SER . 15.1 t -149.37 148.5 15.59 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.443 0 N-CA-C 106.837 -1.542 . . . . 10.0 106.837 -176.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.678 ' HB2' HD13 ' A' ' 96' ' ' ILE . 33.0 t -127.37 112.24 14.8 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.89 120.68 38.71 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.621 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 21.7 m -118.08 107.11 13.6 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 4.6 p90 -109.69 146.64 34.53 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 114.436 1.272 . . . . 10.0 114.436 -170.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -108.42 112.58 25.07 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.93 -1.878 . . . . 10.0 105.93 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 88' ' ' VAL . 44.0 t -124.67 168.86 12.58 Favored 'General case' 0 C--N 1.262 -3.206 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 2.9 mm? -108.48 169.71 8.48 Favored 'General case' 0 C--N 1.272 -2.783 0 N-CA-C 104.536 -2.394 . . . . 10.0 104.536 169.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.49 133.63 49.04 Favored 'General case' 0 C--N 1.275 -2.668 0 N-CA-C 107.683 -1.229 . . . . 10.0 107.683 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -76.5 142.49 70.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 C-N-CA 118.781 -1.168 . . . . 10.0 111.171 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -63.89 -14.24 41.99 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.984 3.122 . . . . 10.0 110.735 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.44 -23.98 62.81 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 112.553 -2.112 . . . . 10.0 109.796 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 35.4 mt -63.67 153.64 35.5 Favored 'General case' 0 CA--C 1.477 -1.832 0 N-CA-C 114.415 1.265 . . . . 10.0 114.415 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -138.24 158.97 43.24 Favored 'General case' 0 N--CA 1.389 -3.501 0 CA-C-N 112.997 -1.91 . . . . 10.0 109.311 177.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 35' ' ' LEU . 50.3 tp -55.17 -46.18 75.78 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.021 0.528 . . . . 10.0 111.236 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -63.6 -25.15 68.1 Favored 'General case' 0 C--O 1.199 -1.554 0 C-N-CA 119.644 -0.822 . . . . 10.0 109.779 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 30' ' ' THR . 9.1 m-20 -67.62 -44.51 77.84 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 118.898 -0.572 . . . . 10.0 110.979 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -66.33 -40.05 89.65 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.405 -0.918 . . . . 10.0 109.702 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -69.03 -37.16 78.47 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.031 -1.44 . . . . 10.0 111.186 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.96 -37.48 75.83 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 34' ' ' LEU . 19.1 mt -56.76 -56.77 12.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.996 173.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 35' ' ' LEU . 4.3 p -59.17 -44.1 91.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.62 -46.71 88.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -66.19 -48.14 71.64 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 120.869 0.366 . . . . 10.0 111.645 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -54.1 -61.14 2.5 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.209 1.004 . . . . 10.0 112.279 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 11.2 mt-30 -54.88 -46.67 74.8 Favored 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 122.595 0.358 . . . . 10.0 111.888 -177.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.76 78.67 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-N 115.378 -0.828 . . . . 10.0 112.674 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -84.65 -40.6 17.23 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.65 -41.7 87.84 Favored 'General case' 0 CA--C 1.486 -1.512 0 O-C-N 123.128 0.267 . . . . 10.0 111.261 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.7 94.33 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.834 0.35 . . . . 10.0 110.118 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 5.6 tpm_? -71.63 -43.87 65.36 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 120.125 -0.63 . . . . 10.0 110.456 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.84 -4.86 48.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 74.02 30.58 1.25 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.113 1.365 . . . . 10.0 111.838 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 65' ' ' LEU . 9.4 mp -92.52 130.22 38.24 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 113.651 -1.613 . . . . 10.0 111.256 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 45.5 p -115.43 146.56 41.5 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.324 -0.853 . . . . 10.0 109.349 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.81 178.12 41.81 Favored Glycine 0 CA--C 1.482 -1.996 0 C-N-CA 118.559 -1.781 . . . . 10.0 114.449 -166.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -167.83 179.09 4.9 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 106.652 -1.61 . . . . 10.0 106.652 172.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 3.7 pp -156.85 154.86 30.5 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -131.88 108.33 9.33 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 113.92 27.4 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 105.775 -1.935 . . . . 10.0 105.775 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 p -136.72 123.74 21.53 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 74.21 -35.24 0.3 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.137 1.375 . . . . 10.0 112.352 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.03 -15.19 1.02 Allowed Glycine 0 C--N 1.295 -1.744 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.14 134.15 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.89 120.77 39.88 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.157 -0.929 . . . . 10.0 111.66 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -110.7 115.94 30.44 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 106.368 -1.715 . . . . 10.0 106.368 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -138.77 128.76 25.26 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 106.675 -1.602 . . . . 10.0 106.675 -175.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.621 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -142.05 165.14 28.26 Favored 'General case' 0 N--CA 1.421 -1.893 0 C-N-CA 119.668 -0.813 . . . . 10.0 110.319 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.1 pt? -147.05 143.93 28.73 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.798 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.9 mt-10 -106.52 124.62 49.88 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.113 -1.439 . . . . 10.0 107.113 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.7 175.24 42.69 Favored Glycine 0 C--N 1.302 -1.34 0 N-CA-C 110.295 -1.122 . . . . 10.0 110.295 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.0 t-80 -69.8 130.43 90.2 Favored Pre-proline 0 C--O 1.209 -1.027 0 CA-C-N 119.254 1.527 . . . . 10.0 108.03 174.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.1 Cg_exo -30.52 -49.45 0.2 Allowed 'Trans proline' 0 C--N 1.374 1.876 1 C-N-CA 126.132 4.555 . . . . 10.0 116.688 -172.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.91 -29.86 63.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.48 75.51 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.691 -1.225 . . . . 10.0 107.691 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.9 t -60.4 -40.23 83.45 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.078 0 CA-C-N 113.378 -1.737 . . . . 10.0 108.341 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.96 68.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -41.65 99.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 106.713 -1.588 . . . . 10.0 106.713 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 79' ' ' ILE . 51.4 t -58.52 -49.25 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.674 0 CA-C-N 114.659 -1.155 . . . . 10.0 110.107 174.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.7 mmt -51.29 -50.23 59.74 Favored 'General case' 0 C--O 1.191 -1.995 0 CA-C-O 119.099 -0.477 . . . . 10.0 110.164 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 35.6 t -53.66 -45.42 70.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 123.435 0.459 . . . . 10.0 110.469 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -61.98 -44.73 96.13 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.371 0.605 . . . . 10.0 111.608 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.7 mt -84.25 -36.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.991 -0.549 . . . . 10.0 112.454 -172.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.612 HE22 HG22 ' A' ' 88' ' ' VAL . 28.7 mm-40 -65.96 -23.33 66.57 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 122.767 0.427 . . . . 10.0 110.973 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -78.65 30.53 0.19 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.101 171.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 6.8 t70 -29.51 136.18 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -164.21 21.11 0.07 Allowed 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 109.839 -3.346 . . . . 10.0 109.42 -169.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.8 mmt180 -141.33 -71.16 0.35 Allowed 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' ' HB ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -86.4 -159.69 0.5 Allowed 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 126.174 1.79 . . . . 10.0 110.397 -175.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -128.04 114.83 17.58 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 115.001 1.482 . . . . 10.0 115.001 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.33 39.7 m-80 78.77 -34.85 0.17 Allowed 'General case' 0 N--CA 1.503 2.195 0 N-CA-C 117.454 2.39 . . . . 10.0 117.454 172.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 HE22 ' A' ' 80' ' ' GLN 0.267 7.5 p 35.11 73.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 115.386 1.624 . . . . 10.0 115.386 -175.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 27.2 mt-10 -92.11 89.99 7.16 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.211 -0.904 . . . . 10.0 108.791 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.703 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 11.8 mm -40.42 -71.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 CA-C-N 114.344 -1.298 . . . . 10.0 108.112 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 90.1 mt 67.36 -23.11 0.11 Allowed 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 125.075 1.35 . . . . 10.0 112.798 174.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -131.19 113.82 14.33 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.403 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -129.9 111.79 12.91 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 106.775 -1.565 . . . . 10.0 106.775 174.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -122.5 140.68 52.48 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.962 -176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.431 ' HA ' HG22 ' A' ' 17' ' ' VAL . 33.1 t -79.02 123.4 27.27 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 18' ' ' SER . 27.6 pt -119.02 174.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 114.315 1.228 . . . . 10.0 114.315 -177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.4 8.39 17.91 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 115.027 -0.988 . . . . 10.0 108.758 174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 96' ' ' ILE . 3.7 ttmt 58.31 -155.8 0.34 Allowed 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 111.97 -2.377 . . . . 10.0 111.739 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.534 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 14.5 tpt180 90.75 18.26 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.539 1.536 . . . . 10.0 111.912 172.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -83.92 -46.54 12.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.635 -0.876 . . . . 10.0 108.635 176.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -127.9 167.29 16.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 -5.16 9.69 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.596 0.712 . . . . 10.0 110.516 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.52 152.28 24.0 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 109.211 -1.556 . . . . 10.0 109.211 173.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.577 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 15.7 t90 -75.71 144.64 41.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.974 0.887 . . . . 10.0 109.548 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.9 m80 -129.56 148.83 51.5 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.603 0.239 . . . . 10.0 111.171 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 142.07 34.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 174.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -66.41 -70.19 0.26 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 117.893 0.315 . . . . 10.0 110.452 -175.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.654 HD13 ' H ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -96.93 -21.89 17.19 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -176.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 m 66.95 -60.67 0.35 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 90.0 112.115 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 53.1 t -138.86 -53.89 0.59 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.294 -1.373 . . . . 90.0 107.294 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.7 p -173.85 179.73 1.93 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.279 -1.378 . . . . 90.0 107.279 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.41 -38.7 5.15 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.749 0.309 . . . . 90.0 110.307 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.69 19.34 11.67 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.629 1.171 . . . . 90.0 112.085 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -124.9 -28.68 3.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.147 0.499 . . . . 90.0 111.367 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 23.8 mmt -97.88 -51.18 4.15 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.022 -1.473 . . . . 90.0 107.022 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.95 -14.05 0.47 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.569 1.548 . . . . 90.0 112.595 -176.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.0 m -68.38 -8.47 40.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.073 1.349 . . . . 90.0 113.031 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.65 -60.12 2.51 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.056 0.455 . . . . 90.0 109.903 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.57 48.41 0.18 Allowed Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 110.603 -0.999 . . . . 90.0 110.603 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 116' ' ' ARG . 7.0 mp -124.8 -48.74 1.76 Allowed 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 120.793 0.33 . . . . 90.0 111.074 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 116' ' ' ARG . . . -84.74 70.56 10.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 122.196 0.998 . . . . 90.0 111.709 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -98.8 141.47 31.55 Favored 'General case' 1 N--CA 1.369 -4.476 0 N-CA-C 105.633 -1.988 . . . . 90.0 105.633 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 t -82.02 122.4 27.76 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 108.528 -0.916 . . . . 90.0 108.528 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -70.94 -20.18 62.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.977 0.732 . . . . 90.0 112.977 -177.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.244 0.796 0 O-C-N 123.97 0.794 . . . . 90.0 112.093 177.61 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.536 HM82 ' ND1' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.497 -1.065 0 N-CA-C 107.391 -1.337 . . . . 90.0 107.391 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -73.18 155.4 39.65 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 123.705 0.628 . . . . 90.0 110.491 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.58 146.5 40.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.751 -0.658 . . . . 90.0 111.671 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.33 148.58 45.2 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.841 -0.8 . . . . 90.0 108.841 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -58.58 -29.44 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 112.827 0.677 . . . . 90.0 112.827 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p 58.06 179.91 0.06 Allowed 'General case' 0 C--O 1.248 0.989 0 C-N-CA 125.815 1.646 . . . . 90.0 114.424 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.4 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 1.1 mpt? -77.76 -24.21 49.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.692 -0.484 . . . . 90.0 109.692 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 p 57.51 95.97 0.02 OUTLIER 'General case' 0 C--O 1.245 0.852 0 C-N-CA 125.158 1.383 . . . . 90.0 114.003 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.58 64.64 3.24 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.048 -1.621 . . . . 90.0 109.048 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 -81.03 0.2 Allowed 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.937 -0.631 . . . . 90.0 111.657 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -149.38 63.86 1.02 Allowed 'General case' 0 N--CA 1.393 -3.278 0 CA-C-O 121.825 0.821 . . . . 10.0 112.833 -175.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 98' ' ' LYS . 2.0 mm? -118.57 155.76 30.35 Favored 'General case' 0 N--CA 1.398 -3.044 0 CA-C-N 115.107 -0.951 . . . . 10.0 108.519 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -149.93 150.56 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.497 0 C-N-CA 124.653 1.181 . . . . 10.0 108.301 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.9 m -126.63 115.47 19.52 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 123.989 0.916 . . . . 10.0 109.848 175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.19 117.58 30.49 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 106.168 -1.79 . . . . 10.0 106.168 171.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 58.2 m -112.21 105.82 14.25 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 106.706 -1.59 . . . . 10.0 106.706 -174.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.818 ' CE1' HG23 ' A' ' 88' ' ' VAL . 5.4 p90 -117.31 158.78 23.79 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.877 1.806 . . . . 10.0 115.877 -166.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -106.13 135.68 47.16 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 112.816 -1.993 . . . . 10.0 110.12 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 p -148.13 153.82 39.36 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 171.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 86' ' ' SER . 3.6 mm? -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.28 -2.425 0 CA-C-O 119.008 -0.52 . . . . 10.0 110.537 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -21.94 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 C-N-CA 126.053 1.741 . . . . 10.0 114.653 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 132.07 87.78 Favored Pre-proline 0 N--CA 1.397 -3.087 0 C-N-CA 124.982 1.313 . . . . 10.0 111.023 -173.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.96 -7.1 12.45 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 124.016 3.144 . . . . 10.0 113.527 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.09 2.1 50.84 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.849 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 84' ' ' ARG . 34.4 mt -78.76 144.71 34.93 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.137 -0.938 . . . . 10.0 112.289 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 139.97 41.1 Favored 'General case' 0 N--CA 1.397 -3.121 0 CA-C-N 114.291 -1.322 . . . . 10.0 110.501 175.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.8 tp -52.07 -41.03 62.03 Favored 'General case' 0 CA--C 1.491 -1.31 0 O-C-N 124.056 0.847 . . . . 10.0 109.416 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.8 tpt180 -63.71 -33.57 75.94 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 118.108 -1.437 . . . . 10.0 110.271 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.01 -34.53 68.93 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-O 118.943 -0.551 . . . . 10.0 109.696 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.657 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.6 mm? -65.71 -36.57 83.99 Favored 'General case' 0 N--CA 1.508 2.431 0 C-N-CA 119.271 -0.972 . . . . 10.0 109.571 176.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 mm? -70.44 -40.81 73.56 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.464 -1.243 . . . . 10.0 110.697 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.02 -38.54 88.67 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.568 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 34' ' ' LEU . 28.5 mt -54.76 -59.27 2.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.762 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 35' ' ' LEU . 9.9 p -62.04 -39.86 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.09 -38.18 90.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.723 0.297 . . . . 10.0 111.523 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 -43.55 52.45 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.744 0.783 . . . . 10.0 109.905 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -56.44 -53.86 52.41 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.101 1.36 . . . . 10.0 112.726 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.67 -35.89 82.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.552 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.18 82.28 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.884 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -70.37 -42.04 72.29 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -59.72 -46.07 90.24 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 123.323 0.39 . . . . 10.0 111.691 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.298 0.571 . . . . 10.0 110.648 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 48' ' ' ALA . 1.9 tmm_? -69.06 -44.84 71.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . . . -79.54 0.24 30.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 73.61 21.96 2.73 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.549 1.539 . . . . 10.0 111.613 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 65' ' ' LEU . 9.0 mp -81.03 132.7 35.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 113.919 -1.491 . . . . 10.0 112.918 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.709 ' HB ' ' O ' ' A' ' 101' ' ' PHE . 33.9 p -111.01 149.38 30.79 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.417 1.887 . . . . 10.0 107.368 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -165.98 176.89 41.27 Favored Glycine 0 CA--C 1.479 -2.164 0 C-N-CA 117.814 -2.136 . . . . 10.0 115.232 -166.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -173.31 168.33 4.65 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 125.101 1.36 . . . . 10.0 107.357 174.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD11 ' SD ' ' A' ' 106' ' ' MET . 4.5 pp -162.25 157.67 23.27 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -132.12 106.83 8.23 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -108.87 127.35 53.96 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.121 -1.437 . . . . 10.0 107.121 -179.173 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 m -126.01 145.92 50.11 Favored 'General case' 0 N--CA 1.392 -3.336 0 N-CA-C 100.812 -3.773 . . . . 10.0 100.812 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.48 98.88 0.05 Allowed 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 121.995 0.903 . . . . 10.0 111.558 -172.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.19 -80.78 0.36 Allowed Glycine 0 N--CA 1.414 -2.821 0 CA-C-N 113.801 -1.545 . . . . 10.0 109.49 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.71 109.73 9.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 123.121 1.439 . . . . 10.0 111.513 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.27 1.0 OUTLIER -102.25 108.61 20.04 Favored 'General case' 0 N--CA 1.407 -2.603 0 CA-C-N 113.317 -1.765 . . . . 10.0 107.569 -177.692 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.63 125.13 52.51 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.614 ' OE1' ' H6 ' ' A' 1126 ' ' FAD . 78.8 mt-30 -138.48 146.9 42.6 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.707 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 1.4 p90 -143.6 161.27 38.94 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 119.421 -0.912 . . . . 10.0 109.385 171.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.4 pt? -143.96 141.86 30.42 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 121.202 -0.199 . . . . 10.0 110.979 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.8 mt-10 -106.09 125.47 51.03 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.86 176.26 42.53 Favored Glycine 0 C--N 1.285 -2.291 0 N-CA-C 110.445 -1.062 . . . . 10.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 22.5 t-80 -68.82 129.94 92.04 Favored Pre-proline 0 C--O 1.211 -0.931 0 N-CA-C 107.005 -1.48 . . . . 10.0 107.005 173.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 4.7 Cg_exo -31.89 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.368 1.559 1 C-N-CA 126.127 4.552 . . . . 10.0 116.493 -172.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.19 -27.76 62.76 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.48 -41.98 71.99 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -63.86 -42.66 96.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 CA-C-N 113.351 -1.75 . . . . 10.0 107.486 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.41 71.47 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.915 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.57 -48.91 78.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 106.57 -1.641 . . . . 10.0 106.57 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 72' ' ' VAL . 41.8 t -56.63 -50.02 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-N 113.481 -1.691 . . . . 10.0 110.069 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 90' ' ' ILE . 3.0 mmt -55.76 -50.05 71.45 Favored 'General case' 0 C--O 1.195 -1.813 0 C-N-CA 122.828 0.451 . . . . 10.0 111.283 176.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.689 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 19.8 m -56.04 -45.63 79.15 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 119.429 -0.32 . . . . 10.0 111.201 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -61.78 -50.97 70.23 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 122.315 1.055 . . . . 10.0 109.911 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG23 HG21 ' A' ' 88' ' ' VAL . 9.9 mt -64.17 -43.42 97.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 C-N-CA 125.831 1.652 . . . . 10.0 115.111 -175.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.569 HE21 HG22 ' A' ' 79' ' ' ILE . 28.8 mm-40 -65.55 -12.83 56.44 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.996 0.918 . . . . 10.0 112.706 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 77' ' ' SER . 9.4 mpt_? -84.13 29.22 0.57 Allowed 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.31 0.576 . . . . 10.0 109.956 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.666 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.297 3.5 t70 -28.35 146.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.84 2.904 . . . . 10.0 118.84 178.002 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 176.44 -33.82 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 111.199 -2.728 . . . . 10.0 106.654 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.578 ' HB3' ' C8M' ' A' 1126 ' ' FAD . 4.8 mpt_? -99.57 17.29 20.8 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.838 -1.074 . . . . 10.0 113.717 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.666 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -165.96 -163.41 0.62 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.351 -0.981 . . . . 10.0 108.351 178.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.3 m -133.63 119.29 19.21 Favored 'General case' 0 C--N 1.269 -2.906 0 C-N-CA 118.221 -1.392 . . . . 10.0 114.737 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.264 37.4 m-80 77.18 -45.12 0.46 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 127.793 2.437 . . . . 10.0 114.289 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.818 HG23 ' CE1' ' A' ' 21' ' ' TYR 0.393 7.1 p 39.4 73.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.269 -2.925 0 C-N-CA 126.352 1.861 . . . . 10.0 115.344 -172.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.64 102.44 13.93 Favored 'General case' 0 N--CA 1.397 -3.108 0 CA-C-N 113.229 -1.805 . . . . 10.0 109.294 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.658 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 4.0 mm -43.86 -63.17 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.181 -2.511 0 C-N-CA 125.981 1.712 . . . . 10.0 109.817 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.9 mt 72.88 -40.03 0.46 Allowed 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 125.96 1.704 . . . . 10.0 112.666 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -133.4 117.81 17.69 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.607 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.98 111.16 15.08 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.901 -1.889 . . . . 10.0 105.901 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.21 136.94 52.57 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.487 -175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 m -81.95 119.12 23.55 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-O 121.529 0.68 . . . . 10.0 109.275 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.511 HD12 ' CA ' ' A' ' 98' ' ' LYS . 15.3 pt -115.53 178.23 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.53 -2.2 16.59 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 114.64 -1.163 . . . . 10.0 109.956 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CB ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER 54.19 -161.94 0.13 Allowed 'General case' 0 N--CA 1.396 -3.126 0 CA-C-N 112.7 -2.045 . . . . 10.0 112.274 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' H ' ' CD ' ' A' ' 98' ' ' LYS . 73.1 ttt180 76.56 24.28 1.03 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.052 1.406 . . . . 10.0 108.695 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 45.1 mtp180 -101.35 -49.94 3.91 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.134 -1.394 . . . . 10.0 109.617 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.709 ' O ' ' HB ' ' A' ' 51' ' ' THR . 90.7 m-85 -121.97 58.04 1.04 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.788 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HA ' ' CG2' ' A' ' 51' ' ' THR . . . -50.4 -14.1 0.16 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 127.641 2.376 . . . . 10.0 114.649 -175.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.34 121.79 3.09 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 106.875 -2.49 . . . . 10.0 106.875 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.668 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -58.08 137.2 57.11 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.385 0.612 . . . . 10.0 111.805 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.506 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 57.5 m80 -114.64 152.04 32.54 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.781 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.26 138.56 29.68 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 105.095 -2.187 . . . . 10.0 105.095 177.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -66.47 -29.56 69.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.272 0.558 . . . . 10.0 111.122 179.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -102.38 77.71 1.67 Allowed 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 107.349 -1.352 . . . . 10.0 107.349 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 p -113.53 4.1 16.03 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.493 -1.299 . . . . 90.0 107.493 173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 64.8 m -137.32 122.49 19.21 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 113.622 -1.626 . . . . 90.0 106.77 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 m -80.18 175.94 10.2 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.694 -0.484 . . . . 90.0 109.694 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -99.18 -147.49 0.34 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.915 -0.772 . . . . 90.0 108.915 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 72.93 -0.08 3.49 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.847 1.259 . . . . 90.0 112.146 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -103.36 -39.43 6.8 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.651 -0.87 . . . . 90.0 108.651 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 118' ' ' LEU . 66.7 mtt -81.08 -47.27 13.76 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 116.061 -0.518 . . . . 90.0 111.404 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -63.89 0.27 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.334 0.864 . . . . 90.0 113.334 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.1 t -70.3 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 126.078 1.751 . . . . 90.0 113.689 -169.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 115' ' ' MET . 91.4 mt -96.19 -14.15 22.96 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.445 -0.946 . . . . 90.0 108.445 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.48 20.74 6.07 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 109.561 -1.416 . . . . 90.0 109.561 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.0 tp -79.29 -45.13 20.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.258 -1.386 . . . . 90.0 107.258 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -91.09 98.43 11.75 Favored 'General case' 0 N--CA 1.396 -3.151 0 CA-C-N 114.216 -1.356 . . . . 90.0 107.571 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -40.32 115.29 0.54 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.581 -1.645 . . . . 90.0 111.756 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -98.89 117.99 34.63 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.766 -0.652 . . . . 90.0 109.333 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 133.41 19.04 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.324 0.583 . . . . 90.0 109.987 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 C--N 1.278 -2.519 0 CA-C-N 114.677 -1.147 . . . . 90.0 112.255 178.52 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.614 ' H6 ' ' OE1' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 106.591 -1.633 . . . . 90.0 106.591 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -95.29 154.57 17.12 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 109.979 -0.378 . . . . 90.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.53 142.01 46.71 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.746 -0.661 . . . . 90.0 109.47 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -67.45 0.4 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 123.69 0.619 . . . . 90.0 111.355 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.65 11.99 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 CA-C-O 121.21 0.529 . . . . 90.0 109.867 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.9 p 70.89 176.68 0.28 Allowed 'General case' 0 C--O 1.252 1.184 0 C-N-CA 126.776 2.03 . . . . 90.0 111.641 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.8 mtp -68.73 167.83 14.53 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.724 0.297 . . . . 90.0 111.333 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 61.6 p 73.67 -5.72 1.94 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.794 1.638 . . . . 90.0 114.236 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.77 -89.72 1.06 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.414 -0.422 . . . . 90.0 112.993 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 p -156.07 -67.66 0.11 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 120.803 0.335 . . . . 90.0 111.076 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 38.2 t0 -176.01 87.15 0.03 OUTLIER 'General case' 0 CA--C 1.455 -2.697 0 N-CA-C 104.775 -2.306 . . . . 10.0 104.775 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.3 mm? -113.1 159.13 19.53 Favored 'General case' 0 N--CA 1.381 -3.919 0 CA-C-O 122.023 0.916 . . . . 10.0 109.136 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.54 150.86 14.67 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.341 0 CA-C-N 113.714 -1.584 . . . . 10.0 107.153 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 8.3 t -134.72 114.43 12.67 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 90' ' ' ILE . 81.7 m -95.82 119.29 34.06 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.722 -1.214 . . . . 10.0 107.722 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 17.6 m -111.26 108.07 17.58 Favored 'General case' 0 CA--C 1.48 -1.717 0 N-CA-C 107.272 -1.381 . . . . 10.0 107.272 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.0 p90 -111.68 143.92 41.79 Favored 'General case' 0 N--CA 1.415 -2.194 0 C-N-CA 118.193 -1.403 . . . . 10.0 114.584 -172.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -106.37 112.67 25.79 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -127.7 166.47 18.07 Favored 'General case' 0 C--N 1.263 -3.186 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.24 174.91 5.66 Favored 'General case' 0 C--N 1.266 -3.052 0 N-CA-C 105.261 -2.125 . . . . 10.0 105.261 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.08 139.69 53.81 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -71.04 131.54 87.14 Favored Pre-proline 0 N--CA 1.391 -3.378 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -60.89 -6.29 5.86 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 124.614 3.543 . . . . 10.0 114.454 -177.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -120.53 17.63 12.08 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.66 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 54.1 mt -66.46 133.58 50.7 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.785 0.802 . . . . 10.0 112.157 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.66 140.87 39.64 Favored 'General case' 0 N--CA 1.389 -3.519 0 CA-C-N 114.044 -1.435 . . . . 10.0 111.429 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.1 tp -56.08 -38.95 71.37 Favored 'General case' 0 CA--C 1.49 -1.339 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -62.15 -28.78 69.89 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.56 ' O ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -72.0 -34.95 69.29 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.156 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.0 mm? -73.5 -35.12 65.59 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 122.456 1.122 . . . . 10.0 108.863 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.4 mm? -71.98 -39.63 69.17 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 113.693 -1.594 . . . . 10.0 109.596 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.37 -39.69 80.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.41 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' LEU . 86.6 mt -56.76 -62.11 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.394 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.618 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 35' ' ' LEU . 7.6 p -62.71 -45.42 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.947 0.721 . . . . 10.0 112.947 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.16 -29.32 68.99 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 HG21 " C5'" ' A' 1126 ' ' FAD . 54.8 m -85.78 -51.13 6.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 p -50.74 -55.74 15.29 Favored 'General case' 0 C--O 1.198 -1.617 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 42' ' ' GLN . 9.9 mt-30 -51.74 -46.05 63.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.869 0.468 . . . . 10.0 111.968 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB3' H62A ' A' 1126 ' ' FAD . . . -72.0 -32.4 67.16 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.818 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -80.24 -40.05 27.81 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 108.759 -0.83 . . . . 10.0 108.759 176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.53 -35.48 77.52 Favored 'General case' 0 CA--C 1.491 -1.316 0 C-N-CA 122.695 0.398 . . . . 10.0 111.28 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.0 89.56 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -64.61 -53.92 40.08 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 114.612 -1.176 . . . . 10.0 110.953 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.53 -8.18 52.32 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.683 -0.689 . . . . 10.0 112.561 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 71.89 25.0 3.2 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.784 1.234 . . . . 10.0 109.721 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 65' ' ' LEU . 8.1 mp -90.03 136.83 32.81 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 112.738 -2.028 . . . . 10.0 112.683 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.483 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 51.7 p -117.59 156.2 28.52 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.22 178.31 41.93 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 118.87 -1.633 . . . . 10.0 114.711 -166.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.19 164.77 6.02 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.561 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.4 pp -152.05 158.69 43.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 119.95 -0.7 . . . . 10.0 110.867 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -131.73 108.17 9.29 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -122.54 122.41 38.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -159.19 138.93 11.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 106.288 -1.745 . . . . 10.0 106.288 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 65.3 5.92 3.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 -11.39 24.27 Favored Glycine 0 C--N 1.305 -1.158 0 C-N-CA 119.471 -1.347 . . . . 10.0 112.8 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.06 129.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.572 0.701 . . . . 10.0 110.589 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.83 121.76 42.25 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 114.63 -1.168 . . . . 10.0 111.73 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -116.5 115.69 26.25 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 165.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -138.58 131.84 30.12 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.066 -1.457 . . . . 10.0 107.066 -173.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -142.29 163.04 33.92 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 118.603 -1.239 . . . . 10.0 109.83 176.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.2 pt? -140.94 149.06 41.36 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.979 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 28.6 mt-10 -110.86 124.58 52.35 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 106.979 -1.489 . . . . 10.0 106.979 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.04 175.77 42.75 Favored Glycine 0 C--N 1.295 -1.707 0 C-N-CA 119.732 -1.223 . . . . 10.0 111.099 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.2 t-80 -69.78 128.84 91.66 Favored Pre-proline 0 C--O 1.203 -1.35 0 N-CA-C 107.81 -1.181 . . . . 10.0 107.81 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.649 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 10.2 Cg_exo -25.86 -54.56 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.495 1 C-N-CA 126.962 5.108 . . . . 10.0 116.692 -173.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.04 59.64 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 113.816 1.043 . . . . 10.0 113.816 -175.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.82 71.04 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.1 t -60.59 -44.57 97.06 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.759 0 CA-C-N 113.604 -1.635 . . . . 10.0 107.548 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.76 74.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -47.19 81.23 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 107.236 -1.394 . . . . 10.0 107.236 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 79' ' ' ILE . 29.0 t -61.43 -50.2 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 0 CA-C-N 114.053 -1.43 . . . . 10.0 110.496 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.9 mmt -50.93 -51.79 48.73 Favored 'General case' 0 C--O 1.194 -1.834 0 CA-C-N 118.128 0.422 . . . . 10.0 110.903 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.5 t -56.09 -44.4 78.98 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.715 0.634 . . . . 10.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -67.25 -28.45 68.05 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG13 ' O ' ' A' ' 75' ' ' VAL . 6.5 mt -91.53 -35.62 7.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.352 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 mm-40 -66.15 -15.23 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -172.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.416 -0.513 . . . . 10.0 109.774 171.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.655 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.477 2.2 t70 58.61 140.01 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 177.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -176.8 -47.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 113.105 -1.861 . . . . 10.0 110.041 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HB2' HM81 ' A' 1126 ' ' FAD . 5.7 mpt_? -95.61 23.0 6.47 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.813 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.655 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -166.54 -161.4 0.46 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 121.541 -0.724 . . . . 10.0 110.142 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -140.58 122.51 15.52 Favored 'General case' 0 N--CA 1.408 -2.54 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.303 39.9 m-80 76.57 -40.09 0.37 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.73 2.122 . . . . 10.0 116.73 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.659 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.363 11.5 p 30.81 86.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 116.924 2.194 . . . . 10.0 116.924 -173.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 30.7 mt-10 -100.23 88.97 3.84 Favored 'General case' 0 C--N 1.283 -2.289 0 CA-C-N 114.819 -1.082 . . . . 10.0 110.497 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.719 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 7.3 mm -46.04 -73.94 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.253 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 170.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 93.2 mt 63.22 -23.96 0.06 Allowed 'General case' 0 C--N 1.284 -2.277 0 C-N-CA 126.383 1.873 . . . . 10.0 113.717 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -123.38 113.04 18.3 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -131.93 110.54 10.85 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.324 -1.732 . . . . 10.0 106.324 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -119.53 146.18 45.69 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.092 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.4 t -80.11 121.22 25.28 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 98' ' ' LYS . 13.0 pt -115.68 174.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.8 0.6 24.19 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.997 -1.001 . . . . 10.0 109.332 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.629 ' HA ' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER 57.52 -158.6 0.27 Allowed 'General case' 0 N--CA 1.39 -3.433 0 CA-C-N 112.336 -2.211 . . . . 10.0 110.589 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 29.7 mtp180 79.28 28.04 0.38 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.367 1.067 . . . . 10.0 109.54 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -93.97 -51.7 4.75 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.897 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -111.82 -13.69 13.65 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.12 -17.05 0.06 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 115.42 1.637 . . . . 10.0 115.42 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.51 163.19 30.24 Favored Glycine 0 C--N 1.284 -2.333 0 N-CA-C 107.8 -2.12 . . . . 10.0 107.8 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' GLY . 27.7 t90 -83.69 137.23 33.87 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 118.828 1.314 . . . . 10.0 108.801 176.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -119.81 143.93 47.59 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 123.051 0.219 . . . . 10.0 110.817 -175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 54' ' ' LEU . 10.6 tpt -102.45 142.06 34.27 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 6.9 tp60 -78.49 -42.8 28.65 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.414 -0.915 . . . . 10.0 109.422 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.65 71.11 2.6 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.14 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -76.08 -46.75 27.51 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.907 0.86 . . . . 90.0 108.874 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.6 p -118.63 -8.55 10.39 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.464 -1.244 . . . . 90.0 109.292 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.9 p 56.78 179.99 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.584 1.554 . . . . 90.0 112.629 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -119.03 23.51 11.34 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.167 0.508 . . . . 90.0 109.796 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.82 -38.05 67.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.579 -0.737 . . . . 90.0 109.907 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.9 -22.34 59.74 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.906 -1.043 . . . . 90.0 110.559 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 85.7 mtp -78.64 -19.06 53.46 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.275 -1.009 . . . . 90.0 108.275 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 120' ' ' LEU 0.389 0.0 OUTLIER 50.46 24.94 1.74 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.163 1.785 . . . . 90.0 114.421 -175.657 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -74.93 -9.88 58.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.215 -0.902 . . . . 90.0 109.615 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.1 mt -86.35 -6.37 58.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.922 -1.035 . . . . 90.0 110.453 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 85.58 57.8 2.14 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.427 -1.069 . . . . 90.0 110.427 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 116' ' ' ARG . 43.6 tp -86.56 -28.67 23.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.358 0.599 . . . . 90.0 109.808 -177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.46 41.27 0.93 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.767 0.794 . . . . 90.0 111.269 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.29 137.23 36.57 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.995 -1.483 . . . . 90.0 106.995 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -123.53 167.58 13.71 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.225 0.536 . . . . 90.0 111.138 -173.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -113.42 16.19 18.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.704 -1.221 . . . . 90.0 107.704 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 114.171 -1.377 . . . . 90.0 112.871 -178.225 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.536 HM81 ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--O 1.237 0.408 0 N-CA-C 107.683 -1.228 . . . . 90.0 107.683 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.03 151.0 45.04 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.317 -0.994 . . . . 90.0 108.317 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.05 131.38 47.32 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 124.381 1.051 . . . . 90.0 111.687 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.49 -142.95 0.12 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.679 -1.6 . . . . 90.0 106.679 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.1 m -68.2 -5.56 4.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.668 -0.645 . . . . 90.0 112.578 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p 60.11 -168.97 0.15 Allowed 'General case' 0 C--O 1.244 0.805 0 C-N-CA 125.934 1.694 . . . . 90.0 111.636 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mtt -76.18 104.13 6.56 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.376 -0.972 . . . . 90.0 108.376 175.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -71.42 80.66 0.77 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 121.764 0.792 . . . . 90.0 112.187 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 97' ' ' ALA . . . -144.19 115.57 0.89 Allowed Glycine 0 N--CA 1.409 -3.141 0 CA-C-N 114.523 -1.217 . . . . 90.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 m -147.66 -33.17 0.27 Allowed 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 111.766 0.284 . . . . 90.0 111.766 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 5.8 p-10 -112.3 47.86 1.04 Allowed 'General case' 0 CA--C 1.478 -1.798 0 CA-C-O 122.057 0.932 . . . . 10.0 110.794 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.8 mm? -119.08 158.73 25.28 Favored 'General case' 0 N--CA 1.389 -3.479 0 CA-C-N 114.632 -1.167 . . . . 10.0 110.568 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 t -149.27 152.79 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.729 0 C-N-CA 125.804 1.642 . . . . 10.0 108.628 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.538 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.6 m -128.44 116.53 19.87 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 124.069 0.948 . . . . 10.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.23 121.7 36.01 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 105.429 -2.063 . . . . 10.0 105.429 169.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.5 t -119.49 105.25 11.07 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.189 -1.411 . . . . 10.0 107.189 -172.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.655 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 3.9 p90 -118.11 160.07 22.16 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 115.63 1.715 . . . . 10.0 115.63 -164.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -123.5 124.16 42.24 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.275 -1.33 . . . . 10.0 108.123 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 22.9 m -128.4 167.55 16.85 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.683 -0.635 . . . . 10.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.09 32.69 4.93 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 19.12 110.13 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.404 0 C-N-CA 126.504 1.922 . . . . 10.0 115.256 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . . . -62.94 129.63 93.4 Favored Pre-proline 0 N--CA 1.416 -2.157 0 CA-C-O 121.262 0.553 . . . . 10.0 111.849 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 37.1 Cg_endo -62.19 -12.2 25.69 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 123.626 2.884 . . . . 10.0 112.549 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -95.66 13.46 26.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 114.452 -1.249 . . . . 10.0 109.653 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 84' ' ' ARG . 28.7 mt -78.11 162.17 26.86 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 114.76 -1.109 . . . . 10.0 113.984 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 149.6 47.62 Favored 'General case' 0 N--CA 1.408 -2.569 0 CA-C-N 113.454 -1.703 . . . . 10.0 108.834 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 35' ' ' LEU . 52.4 tp -59.8 -38.63 82.46 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 25.4 tpt180 -66.9 -21.5 65.99 Favored 'General case' 0 C--O 1.195 -1.814 0 C-N-CA 118.512 -1.275 . . . . 10.0 110.29 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.94 -30.82 50.64 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -75.5 -38.43 59.49 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 122.23 1.014 . . . . 10.0 108.564 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 2.0 mm? -70.74 -30.83 67.46 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 113.682 -1.599 . . . . 10.0 109.706 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.51 -46.75 75.18 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.221 173.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 34' ' ' LEU . 12.7 mt -51.65 -58.25 2.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.988 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 35' ' ' LEU . 3.1 p -56.57 -51.67 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 -177.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -55.64 -48.54 74.81 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 123.509 0.506 . . . . 10.0 111.29 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -79.0 -34.36 44.14 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 115.748 -0.66 . . . . 10.0 112.251 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -57.31 -47.99 80.11 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 123.239 0.616 . . . . 10.0 111.128 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 6.4 mt-30 -57.69 -42.33 83.43 Favored 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 123.782 0.676 . . . . 10.0 111.215 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.81 62.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 114.676 -1.147 . . . . 10.0 111.423 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -95.46 -43.72 7.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.678 ' OD1' ' HA ' ' A' ' 42' ' ' GLN . 2.3 p-10 -71.67 -28.83 64.0 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 120.577 -0.449 . . . . 10.0 111.326 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.53 95.8 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.377 -0.972 . . . . 10.0 108.377 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.41 -47.66 75.51 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.66 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 71' ' ' ALA . . . -79.39 -4.62 51.87 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 113.283 0.846 . . . . 10.0 113.283 -176.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 69.88 20.13 6.8 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 124.844 1.258 . . . . 10.0 110.741 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ALA . 8.1 mp -79.49 138.41 37.54 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 113.958 -1.474 . . . . 10.0 112.483 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 70.1 p -119.93 149.89 41.39 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.79 178.98 41.4 Favored Glycine 0 CA--C 1.497 -1.041 0 C-N-CA 119.212 -1.47 . . . . 10.0 114.887 -165.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.44 170.19 16.3 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 123.754 0.821 . . . . 10.0 109.19 173.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -138.66 144.01 39.46 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.724 0.297 . . . . 10.0 110.581 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -132.8 107.58 8.44 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 172.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.92 107.09 13.15 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.113 -1.44 . . . . 10.0 107.113 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.0 p -113.8 91.6 3.69 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-O 121.48 0.657 . . . . 10.0 111.348 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 61.43 -14.06 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.749 2.42 . . . . 10.0 116.61 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.76 -33.12 0.06 OUTLIER Glycine 0 CA--C 1.492 -1.364 0 C-N-CA 120.779 -0.725 . . . . 10.0 111.516 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.78 124.57 40.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.425 -0.91 . . . . 10.0 110.244 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -93.17 127.12 38.6 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.557 -1.201 . . . . 10.0 110.946 179.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -126.32 115.04 19.06 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.089 -1.448 . . . . 10.0 107.089 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.5 OUTLIER -140.49 136.74 33.25 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.505 -1.294 . . . . 10.0 107.505 -176.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.671 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -142.17 164.19 30.84 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 119.391 -0.924 . . . . 10.0 109.87 177.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -144.82 139.35 27.7 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.73 -175.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 98' ' ' LYS . 27.6 mt-10 -102.94 124.09 47.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.11 -1.441 . . . . 10.0 107.11 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.23 175.49 42.94 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 120.018 -1.086 . . . . 10.0 111.426 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 25.6 t-80 -69.56 128.8 91.95 Favored Pre-proline 0 C--O 1.202 -1.443 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.7 Cg_exo -32.59 -53.53 0.37 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.854 4.37 . . . . 10.0 117.126 -171.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.24 65.62 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 75' ' ' VAL . . . -66.11 -45.97 79.24 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -60.62 -40.35 84.36 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 113.391 -1.731 . . . . 10.0 108.573 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.7 -34.69 62.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.87 -35.92 82.69 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.249 -1.759 . . . . 10.0 106.249 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 79' ' ' ILE . 53.6 t -63.32 -58.54 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.051 0 CA-C-N 114.363 -1.29 . . . . 10.0 108.97 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.5 mmt -46.74 -51.23 16.67 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 123.427 0.691 . . . . 10.0 111.937 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -55.41 -37.01 67.08 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 122.874 0.47 . . . . 10.0 112.154 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -69.39 -42.27 75.37 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.275 -0.97 . . . . 10.0 111.746 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.716 HG22 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -86.63 -21.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -170.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.499 ' CD ' HD11 ' A' ' 90' ' ' ILE . 24.9 mm-40 -73.0 -20.21 61.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -86.93 44.02 1.14 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 122.794 1.283 . . . . 10.0 109.619 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.643 ' OD1' ' HD2' ' A' ' 85' ' ' HIS . 7.1 t70 -36.02 159.23 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 128.662 2.785 . . . . 10.0 116.67 173.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 13.9 ptm180 173.82 -26.01 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 128.421 2.688 . . . . 10.0 107.363 -164.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 29' ' ' LEU . 36.9 mtt180 -103.94 -32.32 9.31 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 122.122 0.963 . . . . 10.0 111.982 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.716 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -126.06 86.82 2.58 Favored 'General case' 0 C--N 1.277 -2.581 0 O-C-N 120.584 -1.323 . . . . 10.0 110.521 -169.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -35.13 26.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 131.108 3.763 . . . . 10.0 121.049 -163.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -176.38 -54.87 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.701 0 CA-C-O 122.659 1.218 . . . . 10.0 112.525 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.466 11.5 p 35.35 88.26 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.236 -4.338 0 CA-C-N 111.158 -2.746 . . . . 10.0 118.354 -165.843 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 46.4 mm-40 -107.86 105.04 14.67 Favored 'General case' 0 N--CA 1.389 -3.495 0 CA-C-N 113.878 -1.51 . . . . 10.0 110.608 170.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.655 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 8.2 mm -45.07 -56.16 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.165 -3.374 0 CA-C-N 112.379 -2.191 . . . . 10.0 108.676 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.6 mt 70.0 -37.94 0.39 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 126.482 1.913 . . . . 10.0 113.453 174.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -143.14 131.22 21.81 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.574 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.15 110.67 7.51 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.698 -1.593 . . . . 10.0 106.698 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.9 150.72 41.57 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.984 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 p -82.45 122.6 28.24 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.407 0.622 . . . . 10.0 109.874 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 98' ' ' LYS . 14.4 pt -115.84 -179.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 113.4 0.889 . . . . 10.0 113.4 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 13' ' ' GLY . . . -114.88 1.26 14.01 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.127 0.965 . . . . 10.0 109.726 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 9.4 ttmt 54.26 -158.87 0.17 Allowed 'General case' 0 N--CA 1.39 -3.438 0 CA-C-N 112.412 -2.176 . . . . 10.0 111.513 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.663 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 5.8 tpt180 80.87 17.05 0.55 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.157 1.383 . . . . 10.0 109.297 174.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -82.35 -54.74 4.98 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.973 -1.012 . . . . 10.0 110.655 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -107.97 -15.89 14.42 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 114.226 1.195 . . . . 10.0 114.226 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.98 -18.74 0.05 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 115.776 1.769 . . . . 10.0 115.776 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.88 163.03 29.95 Favored Glycine 0 C--N 1.291 -1.959 0 N-CA-C 108.453 -1.859 . . . . 10.0 108.453 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.3 t90 -88.54 140.03 29.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 118.461 1.131 . . . . 10.0 110.733 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -123.11 150.72 42.85 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.972 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.74 144.17 43.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -85.24 -33.7 22.14 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.06 9.15 1.02 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.12 1.155 . . . . 10.0 114.12 -173.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.9 p -84.03 -16.23 44.69 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.049 -1.093 . . . . 90.0 108.049 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.68 132.61 52.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 107.714 -1.217 . . . . 90.0 107.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 m -82.56 164.05 21.09 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.968 0.413 . . . . 90.0 109.91 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -102.34 30.99 4.23 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.9 -0.591 . . . . 90.0 109.805 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.98 -10.22 12.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.516 1.126 . . . . 90.0 114.022 -173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.0 -9.82 22.28 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.548 0.689 . . . . 90.0 110.46 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.9 mmt -103.44 -62.06 1.34 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.962 -0.755 . . . . 90.0 108.962 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 120' ' ' LEU . 14.1 mtp180 64.29 9.7 5.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.557 1.143 . . . . 90.0 112.754 175.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 p -86.03 -6.24 59.07 Favored 'General case' 0 N--CA 1.423 -1.796 0 C-N-CA 123.139 0.576 . . . . 90.0 112.216 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 112' ' ' GLU . 67.6 mt -87.29 3.65 45.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.114 0.413 . . . . 90.0 112.114 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 149.61 -25.7 1.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.254 -1.451 . . . . 90.0 114.26 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 116' ' ' ARG . 16.3 tp -65.71 -51.36 59.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.185 0.517 . . . . 90.0 110.665 -177.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . 0.25 . . 52.48 -97.64 0.06 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 115.293 1.59 . . . . 90.0 115.293 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.26 -58.38 8.73 Favored 'General case' 1 C--N 1.241 -4.128 0 CA-C-N 113.007 -1.906 . . . . 90.0 111.457 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 84.9 p -173.49 -173.04 0.84 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.458 -0.571 . . . . 90.0 109.458 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -113.7 10.41 17.93 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 108.369 -0.974 . . . . 90.0 108.369 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 C-N-CA 123.904 0.882 . . . . 90.0 109.119 -171.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.914 H51A ' N3A' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 108.5 -0.926 . . . . 90.0 108.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.1 147.54 28.04 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 109.74 -0.467 . . . . 90.0 109.74 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.85 133.16 41.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 123.679 0.612 . . . . 90.0 110.75 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.91 135.21 55.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.359 -0.837 . . . . 90.0 109.774 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.49 -13.16 15.76 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 114.482 1.29 . . . . 90.0 114.482 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p 61.02 179.92 0.11 Allowed 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.49 1.516 . . . . 90.0 113.311 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -74.78 121.3 21.55 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 109.181 -0.674 . . . . 90.0 109.181 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 p -85.85 -2.6 58.41 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 112.729 0.64 . . . . 90.0 112.729 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.34 99.19 0.19 Allowed Glycine 0 N--CA 1.421 -2.32 0 N-CA-C 111.366 -0.693 . . . . 90.0 111.366 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -133.75 -20.35 2.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.865 0.84 . . . . 90.0 111.069 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 13.4 p-10 -103.5 43.58 1.07 Allowed 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 125.561 1.544 . . . . 10.0 110.782 -173.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 2.1 mm? -115.71 162.65 16.96 Favored 'General case' 1 C--N 1.236 -4.333 0 CA-C-N 114.464 -1.244 . . . . 10.0 109.889 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 95' ' ' SER . 6.4 t -150.5 147.1 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.78 0 C-N-CA 125.277 1.431 . . . . 10.0 108.12 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.639 ' OG ' HD13 ' A' ' 96' ' ' ILE . 58.3 m -119.68 111.53 18.15 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 123.65 0.78 . . . . 10.0 110.293 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -94.83 112.37 24.1 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.233 -1.766 . . . . 10.0 106.233 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.683 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 32.3 m -110.01 106.09 15.47 Favored 'General case' 0 CA--C 1.473 -1.986 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.77 ' CD1' HG23 ' A' ' 88' ' ' VAL . 2.3 p90 -115.52 164.74 13.87 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 119.085 -1.046 . . . . 10.0 112.505 -170.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -123.83 161.62 24.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-N 114.544 -1.207 . . . . 10.0 108.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 67.0 m -150.63 148.78 29.03 Favored 'General case' 0 C--N 1.266 -3.034 0 N-CA-C 108.107 -1.071 . . . . 10.0 108.107 169.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.68 38.2 0.94 Allowed 'General case' 0 C--N 1.27 -2.866 0 C-N-CA 119.815 -0.754 . . . . 10.0 110.931 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.57 111.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 127.963 2.505 . . . . 10.0 115.379 -176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' HB2' ' A' ' 86' ' ' SER . . . -60.76 120.58 54.44 Favored Pre-proline 0 N--CA 1.408 -2.553 0 CA-C-O 120.989 0.423 . . . . 10.0 110.022 -173.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 51.4 Cg_endo -63.92 -5.67 9.58 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.941 3.094 . . . . 10.0 113.022 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.74 8.65 41.42 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.513 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 76.3 mt -77.43 171.37 14.99 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.457 0.646 . . . . 10.0 110.851 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.32 141.89 48.06 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-N 115.071 -0.968 . . . . 10.0 111.657 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 35' ' ' LEU . 61.4 tp -55.37 -44.65 76.23 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 123.69 0.796 . . . . 10.0 111.084 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.51 -31.48 70.54 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 118.794 -1.163 . . . . 10.0 110.558 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.31 -29.35 62.64 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.686 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -71.42 -37.67 71.45 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 122.581 1.181 . . . . 10.0 107.936 174.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -70.81 -25.32 62.8 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 113.229 -1.805 . . . . 10.0 110.984 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -77.56 -42.72 34.26 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 34' ' ' LEU . 8.8 mt -49.33 -54.91 5.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 123.888 0.875 . . . . 10.0 111.275 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' SD ' ' A' ' 106' ' ' MET . 3.2 p -54.54 -41.55 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.253 0.346 . . . . 10.0 111.563 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.2 -57.88 10.61 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.721 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.2 t -66.35 -31.45 72.24 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.184 0.302 . . . . 10.0 111.451 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -60.34 -58.72 7.32 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 12.4 mt-30 -58.05 -43.87 87.14 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.466 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.95 99.99 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 -173.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -81.62 -36.23 29.14 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.76 -39.33 73.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.52 97.63 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.674 -0.861 . . . . 10.0 108.674 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -62.81 -51.37 67.35 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.28 -1.49 33.31 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 119.439 -0.905 . . . . 10.0 113.193 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 75.17 22.33 1.77 Allowed 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 124.949 1.3 . . . . 10.0 111.119 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 65' ' ' LEU . 8.2 mp -82.07 124.12 29.55 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 113.581 -1.645 . . . . 10.0 111.738 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 68.8 p -104.4 152.0 22.82 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 115.173 -0.921 . . . . 10.0 109.701 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.0 178.67 41.65 Favored Glycine 0 N--CA 1.423 -2.217 0 C-N-CA 118.728 -1.701 . . . . 10.0 114.481 -166.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -172.13 163.61 5.95 Favored 'General case' 0 C--N 1.281 -2.402 0 C-N-CA 125.505 1.522 . . . . 10.0 106.964 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 3.0 pp -149.98 149.57 30.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 C-N-CA 120.111 -0.636 . . . . 10.0 109.741 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -126.08 113.02 16.54 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 124.358 1.036 . . . . 10.0 108.488 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.55 106.68 17.3 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 105.138 -2.171 . . . . 10.0 105.138 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.7 m -117.06 104.64 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.844 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 65.56 -79.62 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.962 1.305 . . . . 10.0 112.05 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.36 -8.0 4.19 Favored Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.151 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.26 127.62 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 C-N-CA 119.2 -1.0 . . . . 10.0 111.861 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -91.16 123.57 34.72 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 114.257 -1.338 . . . . 10.0 109.031 173.401 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -122.19 117.2 25.64 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.55 -1.648 . . . . 10.0 106.55 167.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' HM72 ' A' 1126 ' ' FAD . 0.2 OUTLIER -138.17 129.76 27.95 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 106.177 -1.786 . . . . 10.0 106.177 -174.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -140.67 154.58 46.45 Favored 'General case' 0 N--CA 1.419 -1.986 0 C-N-CA 118.626 -1.23 . . . . 10.0 110.51 177.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 HD23 ' A' ' 50' ' ' LEU . 1.3 pt? -136.55 138.74 41.61 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.241 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 24.1 mt-10 -105.96 124.06 48.97 Favored 'General case' 0 N--CA 1.428 -1.559 0 N-CA-C 106.731 -1.581 . . . . 10.0 106.731 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.87 175.11 42.82 Favored Glycine 0 C--N 1.291 -1.969 0 C-N-CA 120.03 -1.081 . . . . 10.0 110.586 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.563 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 30.0 t-80 -69.38 125.81 92.23 Favored Pre-proline 0 C--O 1.198 -1.609 0 N-CA-C 107.423 -1.325 . . . . 10.0 107.423 174.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 2.9 Cg_exo -30.07 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.782 1 C-N-CA 126.442 4.762 . . . . 10.0 116.934 -170.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.09 58.57 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.55 -43.37 63.57 Favored 'General case' 0 C--N 1.273 -2.736 0 N-CA-C 107.869 -1.16 . . . . 10.0 107.869 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.62 -42.13 90.61 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 113.16 -1.836 . . . . 10.0 107.703 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.11 -36.41 66.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.76 -38.55 78.72 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 79' ' ' ILE . 37.9 t -68.19 -53.2 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.559 0 CA-C-N 113.808 -1.542 . . . . 10.0 110.049 172.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -48.6 -51.98 25.22 Favored 'General case' 0 C--O 1.183 -2.424 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.286 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.621 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 30.9 t -56.4 -45.82 80.43 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.298 0.374 . . . . 10.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.62 -29.32 70.58 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.483 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 75' ' ' VAL . 14.0 mt -91.36 -31.77 5.07 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 122.538 0.335 . . . . 10.0 111.896 -177.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -73.93 -3.15 27.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.66 0.743 . . . . 10.0 112.394 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.621 ' HD3' ' O ' ' A' ' 77' ' ' SER . 11.0 mpt_? -84.61 26.54 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.586 167.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.7 ' OD1' ' HD2' ' A' ' 85' ' ' HIS 0.35 2.2 t70 -18.33 142.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 118.896 2.924 . . . . 10.0 118.896 174.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 173.48 -33.67 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 110.847 -2.888 . . . . 10.0 106.679 -164.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HB3' HD11 ' A' ' 37' ' ' ILE . 32.1 mmt180 -92.18 13.03 20.27 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.885 -1.052 . . . . 10.0 113.043 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.7 ' HD2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -161.31 -165.75 1.39 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.705 -1.22 . . . . 10.0 107.705 -177.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.501 ' HB2' ' N ' ' A' ' 26' ' ' ALA . 1.7 t -110.59 -3.74 15.79 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 116.942 -1.903 . . . . 10.0 114.037 -174.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.85 -48.37 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.44 0 C-N-CA 117.557 -1.657 . . . . 10.0 114.065 -171.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.45 14.0 p 45.89 87.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 112.276 -2.238 . . . . 10.0 116.609 -171.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . 23.2 mt-10 -108.65 91.28 3.58 Favored 'General case' 0 N--CA 1.399 -3.013 0 CA-C-N 112.689 -2.051 . . . . 10.0 107.409 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.738 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -43.0 -70.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 N-CA-C 107.164 -1.421 . . . . 10.0 107.164 171.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 96.3 mt 71.29 -31.74 0.23 Allowed 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 125.214 1.406 . . . . 10.0 112.633 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -130.31 118.11 20.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.653 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -136.13 111.07 8.82 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -118.54 145.69 45.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.853 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 17' ' ' VAL . 19.0 p -78.63 115.49 18.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' OG ' ' A' ' 18' ' ' SER . 16.6 pt -115.67 176.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 114.846 1.425 . . . . 10.0 114.846 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 -2.02 18.8 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-N 114.55 -1.205 . . . . 10.0 110.019 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.55 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 53.84 -161.5 0.13 Allowed 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 112.474 -2.148 . . . . 10.0 111.689 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 82.92 28.91 0.1 Allowed 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.5 1.12 . . . . 10.0 111.114 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -92.05 -55.89 3.28 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.322 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.419 ' O ' ' HE1' ' A' ' 105' ' ' HIS . 40.2 m-85 -100.14 -13.09 19.11 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 114.798 1.407 . . . . 10.0 114.798 -176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 62.7 -19.96 0.05 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 115.773 1.768 . . . . 10.0 115.773 176.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.0 169.92 31.36 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 107.951 -2.06 . . . . 10.0 107.951 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 106' ' ' MET . 35.3 t90 -87.88 142.55 27.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.105 1.453 . . . . 10.0 109.035 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 79.7 m80 -129.73 155.31 46.11 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 -174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.483 ' HB2' ' CH2' ' A' ' 104' ' ' TRP . 25.6 ttt -131.45 125.19 31.89 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.011 -0.676 . . . . 10.0 110.347 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.56 -52.84 63.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.313 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.3 mt -86.98 35.15 0.68 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -72.09 -33.33 67.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.075 -1.454 . . . . 90.0 107.075 170.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.8 t -107.29 107.92 19.08 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.725 -1.213 . . . . 90.0 107.725 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 p -81.08 168.29 18.79 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.271 -0.64 . . . . 90.0 109.271 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . 0.277 0.0 OUTLIER -75.67 -50.22 16.07 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.405 0.891 . . . . 90.0 113.405 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.22 25.54 11.15 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.321 1.049 . . . . 90.0 111.294 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.21 -47.92 2.0 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.541 0.686 . . . . 90.0 110.518 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 45.0 mtt -79.83 -49.44 11.97 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 106.643 -1.614 . . . . 90.0 106.643 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 61.44 -17.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.846 1.795 . . . . 90.0 115.846 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 121' ' ' ALA . 14.5 m -72.92 -4.62 33.17 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 123.544 0.737 . . . . 90.0 112.046 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.23 -27.2 66.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.051 0.453 . . . . 90.0 110.115 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -171.08 -33.54 0.03 OUTLIER Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.313 -0.946 . . . . 90.0 113.29 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.39 -49.84 57.24 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.298 0.57 . . . . 90.0 111.223 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 117' ' ' SER . . . -80.62 78.47 7.36 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 122.228 1.013 . . . . 90.0 112.699 -176.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.62 -6.17 25.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 105.92 -1.882 . . . . 90.0 105.92 172.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 p -87.48 93.54 9.44 Favored 'General case' 0 N--CA 1.4 -2.955 0 CA-C-N 113.698 -1.592 . . . . 90.0 112.549 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.583 ' H ' ' HD2' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -88.9 -12.63 41.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.166 -1.05 . . . . 90.0 108.166 171.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--O 1.255 1.357 0 CA-C-N 114.392 -1.276 . . . . 90.0 107.903 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.462 HM72 ' HG3' ' A' ' 63' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.569 -0.53 . . . . 90.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -126.81 164.17 21.96 Favored 'General case' 0 N--CA 1.416 -2.13 0 N-CA-C 108.776 -0.824 . . . . 90.0 108.776 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.7 136.18 17.8 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.255 0.972 . . . . 90.0 110.492 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.67 132.5 40.61 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 115.593 -0.73 . . . . 90.0 109.839 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.98 -17.33 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 114.011 1.115 . . . . 90.0 114.011 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 12' ' ' THR . 62.1 p 58.72 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.323 1.449 . . . . 90.0 113.664 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.82 -32.32 73.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.527 -0.545 . . . . 90.0 109.527 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 10' ' ' THR . 33.4 p 47.19 -95.36 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.069 1.507 . . . . 90.0 115.069 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.17 126.57 2.89 Favored Glycine 0 N--CA 1.406 -3.357 0 N-CA-C 108.411 -1.876 . . . . 90.0 108.411 -173.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -130.08 -52.82 1.12 Allowed 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.342 0.591 . . . . 90.0 111.95 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.568 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 8.4 p-10 -97.42 45.18 1.04 Allowed 'General case' 0 N--CA 1.417 -2.098 0 CA-C-O 122.295 1.045 . . . . 10.0 111.471 -172.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.5 mm? -116.5 155.08 29.26 Favored 'General case' 0 N--CA 1.386 -3.626 0 CA-C-N 113.822 -1.536 . . . . 10.0 108.351 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 95' ' ' SER . 11.5 t -150.28 148.71 15.05 Favored 'Isoleucine or valine' 1 N--CA 1.375 -4.185 0 C-N-CA 126.068 1.747 . . . . 10.0 106.933 -176.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 77.5 p -128.07 113.93 16.42 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.9 m -91.27 118.96 30.93 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 27.2 m -114.12 114.86 26.65 Favored 'General case' 0 CA--C 1.476 -1.89 0 N-CA-C 107.259 -1.385 . . . . 10.0 107.259 -173.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 p90 -123.28 173.53 7.88 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 115.484 1.661 . . . . 10.0 115.484 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 19.2 ttt180 -116.86 141.03 48.75 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.773 -2.012 . . . . 10.0 109.817 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 62.8 m -147.99 138.79 23.17 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 123.073 0.549 . . . . 10.0 109.539 172.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' OD1' ' A' ' 87' ' ' ASN . 4.0 mm? -100.43 55.68 0.9 Allowed 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.889 -0.725 . . . . 10.0 111.372 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . -13.25 119.77 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.145 0 C-N-CA 126.559 1.943 . . . . 10.0 115.389 -171.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -64.43 121.89 75.15 Favored Pre-proline 0 N--CA 1.395 -3.213 0 CA-C-N 114.727 -1.124 . . . . 10.0 110.035 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 41.0 Cg_endo -63.66 -5.0 7.9 Favored 'Trans proline' 0 N--CA 1.485 0.98 0 C-N-CA 123.444 2.763 . . . . 10.0 112.596 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -96.75 1.72 51.17 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 124.492 1.117 . . . . 10.0 111.234 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 79.2 mt -70.51 147.3 49.51 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.844 0.831 . . . . 10.0 112.661 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.82 139.22 32.08 Favored 'General case' 0 N--CA 1.391 -3.418 0 CA-C-N 114.01 -1.45 . . . . 10.0 111.671 175.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 35' ' ' LEU . 59.3 tp -55.01 -42.79 72.98 Favored 'General case' 0 CA--C 1.487 -1.469 0 C-N-CA 123.773 0.829 . . . . 10.0 110.888 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.55 ' O ' ' HD2' ' A' ' 32' ' ' ARG 0.286 0.0 OUTLIER -76.59 -8.05 56.45 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 117.32 -1.752 . . . . 10.0 112.153 -176.269 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.744 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.02 -37.61 58.2 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 168.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.4 mm? -69.53 -42.31 74.82 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 122.398 1.094 . . . . 10.0 108.887 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 mm? -68.26 -36.38 79.33 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 113.886 -1.506 . . . . 10.0 110.333 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 14.3 t70 -66.1 -35.6 80.94 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.545 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.744 HG13 ' O ' ' A' ' 33' ' ' ASP . 75.6 mt -55.24 -55.22 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 35' ' ' LEU . 11.8 p -67.03 -14.67 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 CA-C-N 115.307 -0.861 . . . . 10.0 112.146 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -89.3 -61.39 1.71 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 121.458 0.647 . . . . 10.0 109.995 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.9 m -69.79 -38.88 76.82 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.567 1.147 . . . . 10.0 113.587 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -55.91 -49.78 72.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.637 0.256 . . . . 10.0 111.572 -174.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.36 -42.28 99.28 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.67 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.33 97.04 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 123.995 0.809 . . . . 10.0 112.768 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O2 ' ' A' 1126 ' ' FAD . 22.6 t-80 -79.42 -38.99 33.46 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 92.5 m-20 -62.42 -46.89 86.51 Favored 'General case' 0 C--O 1.201 -1.457 0 O-C-N 123.318 0.386 . . . . 10.0 111.67 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.32 91.77 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.137 0.494 . . . . 10.0 110.062 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -68.96 -51.13 42.8 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.569 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.9 -3.25 43.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 73.29 31.37 1.41 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.75 1.22 . . . . 10.0 111.086 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 7.2 mp -93.84 139.26 31.09 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 112.671 -2.059 . . . . 10.0 110.637 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 54.0 p -121.74 158.8 28.0 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -168.07 177.73 42.12 Favored Glycine 0 CA--C 1.484 -1.889 0 C-N-CA 118.741 -1.695 . . . . 10.0 114.237 -168.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' A' ' 105' ' ' HIS . . . -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.569 0.748 . . . . 10.0 109.12 171.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.8 pp -143.99 144.38 31.64 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 120.717 -0.393 . . . . 10.0 110.344 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.79 110.57 16.51 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.923 -1.035 . . . . 10.0 108.396 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 105.86 18.05 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.727 -1.953 . . . . 10.0 105.727 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.4 m -117.26 93.85 4.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.845 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 68.15 -72.6 0.09 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.453 1.101 . . . . 10.0 111.725 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.46 -34.21 0.41 Allowed Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.95 110.91 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 122.56 1.171 . . . . 10.0 110.757 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 25' ' ' ALA 0.277 1.7 t80 -99.43 108.79 21.35 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 113.958 -1.474 . . . . 10.0 107.357 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -113.3 122.38 47.25 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 24.9 tm0? -138.56 137.91 37.48 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.693 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.61 164.21 30.72 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 107.558 -1.275 . . . . 10.0 107.558 174.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 18' ' ' SER . 2.0 pt? -145.67 150.29 36.03 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 120.64 -0.424 . . . . 10.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 26.6 mt-10 -105.18 124.16 49.07 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.527 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -167.69 175.51 42.62 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 119.432 -1.366 . . . . 10.0 111.581 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 26.8 t-80 -70.12 127.82 92.02 Favored Pre-proline 0 C--O 1.21 -0.974 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 8.2 Cg_exo -29.01 -53.8 0.16 Allowed 'Trans proline' 0 C--N 1.377 2.031 1 C-N-CA 126.402 4.734 . . . . 10.0 116.834 -171.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.6 -28.15 62.6 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 113.645 0.98 . . . . 10.0 113.645 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.84 72.26 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.218 1.009 . . . . 10.0 108.384 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.0 t -65.91 -45.31 91.53 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.497 0 CA-C-N 113.53 -1.668 . . . . 10.0 107.36 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.524 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.62 -33.25 74.6 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 72' ' ' VAL . 3.7 p -82.53 -34.66 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.92 0 C-N-CA 117.828 -1.549 . . . . 10.0 109.983 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.5 mmt -52.98 -51.21 62.31 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-N 118.603 0.638 . . . . 10.0 110.763 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.7 p -54.22 -43.66 71.0 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.444 0.465 . . . . 10.0 111.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -66.7 -52.3 46.17 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.849 0.833 . . . . 10.0 110.783 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.559 HG23 ' CE1' ' A' ' 85' ' ' HIS . 8.3 mt -59.69 -48.67 86.64 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 125.53 1.532 . . . . 10.0 114.533 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.505 HE21 HG22 ' A' ' 79' ' ' ILE . 28.7 mm-40 -59.07 -22.62 61.07 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.034 1.733 . . . . 10.0 115.196 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -63.31 -36.42 83.64 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.172 0.51 . . . . 10.0 109.725 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.478 ' CG ' ' HD2' ' A' ' 85' ' ' HIS . 13.7 t0 63.99 151.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 126.675 1.99 . . . . 10.0 112.59 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 175.24 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 113.492 -1.686 . . . . 10.0 108.471 -163.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HB2' HM81 ' A' 1126 ' ' FAD . 98.9 mtt180 -131.61 25.26 4.75 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.214 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.559 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -142.14 -160.18 1.06 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 103.24 -2.874 . . . . 10.0 103.24 176.531 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -121.01 -11.02 8.97 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 117.157 -1.817 . . . . 10.0 113.327 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.561 ' OD1' HD23 ' A' ' 24' ' ' LEU . 6.5 m120 -156.53 -53.96 0.08 Allowed 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 123.36 1.553 . . . . 10.0 110.365 -170.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.434 14.2 p 44.62 84.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.399 -2.999 0 CA-C-N 110.226 -3.17 . . . . 10.0 116.818 -169.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 114.12 27.58 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.583 -1.19 . . . . 10.0 110.139 173.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.754 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -51.23 -74.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 C-N-CA 125.357 1.463 . . . . 10.0 110.542 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.7 mt 76.62 -33.82 0.21 Allowed 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 125.953 1.701 . . . . 10.0 111.813 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.27 120.44 25.69 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 120.53 -0.468 . . . . 10.0 111.655 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -136.82 110.98 8.35 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.56 144.66 49.44 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.165 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 17' ' ' VAL . 43.8 m -80.11 120.73 24.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-O 121.228 0.537 . . . . 10.0 109.62 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 98' ' ' LYS . 15.2 pt -115.64 176.91 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 115.41 1.634 . . . . 10.0 115.41 -175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.42 -5.08 20.67 Favored 'General case' 0 CA--C 1.479 -1.769 0 CA-C-N 114.348 -1.296 . . . . 10.0 109.82 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER 54.41 -159.0 0.18 Allowed 'General case' 0 N--CA 1.393 -3.319 0 CA-C-N 112.498 -2.137 . . . . 10.0 112.001 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 15.7 tpt180 83.66 21.02 0.17 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.772 1.629 . . . . 10.0 110.244 172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -85.47 -57.23 3.15 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.983 -1.008 . . . . 10.0 111.615 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -100.85 -18.44 16.39 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 113.862 1.06 . . . . 10.0 113.862 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 65.56 -18.45 0.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.568 1.547 . . . . 10.0 115.084 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.58 163.92 30.5 Favored Glycine 0 C--N 1.285 -2.265 0 N-CA-C 107.937 -2.065 . . . . 10.0 107.937 172.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 20.1 t90 -78.16 132.97 37.86 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 118.607 1.204 . . . . 10.0 109.295 173.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 62.1 m170 -118.83 159.26 24.06 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.258 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.2 ttt -135.45 125.31 25.63 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 107.489 -1.3 . . . . 10.0 107.489 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 6.1 tp60 -67.42 -56.39 9.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.002 0.429 . . . . 10.0 110.638 -174.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.09 75.32 5.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 106.642 -1.614 . . . . 10.0 106.642 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -98.91 -17.34 18.42 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.957 -1.497 . . . . 90.0 106.957 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.1 m -151.38 152.05 32.58 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 105.933 -1.877 . . . . 90.0 105.933 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.3 m -76.8 166.13 23.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.388 -0.597 . . . . 90.0 109.388 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 115' ' ' MET . 0.0 OUTLIER -70.6 96.44 1.2 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.937 0.875 . . . . 90.0 112.373 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.26 -35.5 17.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.642 -0.708 . . . . 90.0 111.421 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.4 -29.96 16.78 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.571 -0.741 . . . . 90.0 111.133 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.522 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 42.8 mtt -73.2 -54.93 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.409 -1.701 . . . . 90.0 106.409 176.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 53.91 32.3 14.97 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.125 1.77 . . . . 90.0 112.538 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.5 p -102.97 -2.63 27.33 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-N 114.407 -1.27 . . . . 90.0 111.654 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.521 ' HG ' ' CD ' ' A' ' 112' ' ' GLU . 4.6 pp -135.72 -33.78 0.85 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.323 -0.551 . . . . 90.0 112.107 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.1 -33.8 59.05 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 109.786 -1.325 . . . . 90.0 109.786 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.39 -37.17 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.228 -0.486 . . . . 90.0 111.758 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.74 84.31 4.97 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.369 0.604 . . . . 90.0 110.533 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -154.95 95.08 1.71 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.055 -0.975 . . . . 90.0 108.613 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -143.1 157.65 44.33 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 106.782 -1.562 . . . . 90.0 106.782 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -104.16 -1.15 27.65 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.129 -0.693 . . . . 90.0 109.129 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.323 -0.853 . . . . 90.0 110.577 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.535 HM81 ' HB2' ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 120.632 0.253 . . . . 90.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -119.26 153.62 34.74 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 107.103 -1.443 . . . . 90.0 107.103 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.09 150.13 37.32 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 123.515 0.51 . . . . 90.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.68 154.8 40.54 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.644 -0.707 . . . . 90.0 109.438 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -70.67 -18.49 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 N-CA-C 113.243 0.831 . . . . 90.0 113.243 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.8 p 54.17 75.84 0.26 Allowed 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 124.891 1.276 . . . . 90.0 111.317 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 127.78 34.13 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.346 -0.983 . . . . 90.0 108.346 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -82.34 -15.35 53.16 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 115.115 -0.948 . . . . 90.0 112.04 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 97' ' ' ALA . . . 61.7 94.0 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 O-C-N 124.184 0.928 . . . . 90.0 112.644 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 -43.17 8.63 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-O 121.09 0.471 . . . . 90.0 111.931 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 6.0 p-10 -102.03 43.46 1.07 Allowed 'General case' 0 N--CA 1.404 -2.749 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -172.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 1.7 mm? -121.4 151.9 39.65 Favored 'General case' 0 C--N 1.255 -3.507 0 CA-C-N 114.672 -1.149 . . . . 10.0 108.489 168.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 95' ' ' SER . 38.3 t -150.64 147.32 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.565 0 C-N-CA 125.335 1.454 . . . . 10.0 107.3 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.581 ' HB3' HD13 ' A' ' 96' ' ' ILE . 87.0 p -129.95 123.03 29.7 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 p -98.26 129.56 44.98 Favored 'General case' 0 N--CA 1.409 -2.502 0 N-CA-C 106.067 -1.827 . . . . 10.0 106.067 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.653 ' HA ' ' HB2' ' A' ' 64' ' ' TRP . 35.2 m -115.67 109.05 17.17 Favored 'General case' 0 CA--C 1.484 -1.59 0 N-CA-C 107.802 -1.185 . . . . 10.0 107.802 -175.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.776 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 6.2 p90 -118.0 151.0 38.33 Favored 'General case' 0 N--CA 1.412 -2.349 0 C-N-CA 118.681 -1.208 . . . . 10.0 113.365 -172.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -118.53 117.82 30.03 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.63 -1.168 . . . . 10.0 108.306 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 88' ' ' VAL . 45.0 m -117.8 170.86 8.46 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.47 48.83 1.78 Allowed 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 118.691 -0.671 . . . . 10.0 110.971 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . . . 8.58 104.91 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 O-C-N 125.951 2.032 . . . . 10.0 113.471 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.25 142.73 85.97 Favored Pre-proline 0 N--CA 1.419 -1.999 0 O-C-N 123.721 0.638 . . . . 10.0 112.088 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.23 -10.01 9.61 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 124.706 3.604 . . . . 10.0 113.884 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -100.91 16.42 25.28 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 122.07 0.938 . . . . 10.0 111.363 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 84' ' ' ARG . 20.8 mt -83.31 150.31 26.21 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.951 -1.022 . . . . 10.0 111.281 174.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.1 p -119.14 163.65 16.72 Favored 'General case' 0 N--CA 1.415 -2.177 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 35' ' ' LEU . 56.1 tp -60.66 -37.62 82.15 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 173.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 22.5 tpt180 -70.06 -26.53 64.06 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 117.471 -1.692 . . . . 10.0 109.656 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -73.09 -33.11 65.41 Favored 'General case' 0 C--O 1.198 -1.623 0 C-N-CA 120.169 -0.613 . . . . 10.0 109.463 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.7 mm? -66.53 -39.98 88.9 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 118.664 -1.214 . . . . 10.0 109.509 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.6 mm? -75.64 -17.16 60.08 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 114.152 -1.385 . . . . 10.0 111.108 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -81.58 -46.46 14.39 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 170.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 34' ' ' LEU . 36.6 mt -49.38 -51.7 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 C-N-CA 125.177 1.391 . . . . 10.0 111.676 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -57.52 -37.71 59.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.101 0 O-C-N 123.493 0.496 . . . . 10.0 111.562 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -75.8 -48.43 21.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 -23.15 67.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 p -82.53 -61.49 1.87 Allowed 'General case' 0 N--CA 1.42 -1.956 0 C-N-CA 120.785 -0.366 . . . . 10.0 110.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 1.1 pp0? -57.53 -40.56 79.07 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.641 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.69 87.58 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.29 -34.38 25.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -68.45 -42.87 78.18 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.845 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.7 88.23 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -63.19 -44.09 96.33 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.614 -1.175 . . . . 10.0 109.613 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -3.84 45.43 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 73.37 26.01 2.1 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.045 1.338 . . . . 10.0 111.599 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mp -89.66 140.82 29.18 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 126.357 1.863 . . . . 10.0 112.063 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HG3' ' A' ' 66' ' ' GLU . 22.1 p -121.2 154.25 36.51 Favored 'General case' 0 N--CA 1.421 -1.923 0 C-N-CA 124.837 1.255 . . . . 10.0 108.765 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -166.04 177.18 41.21 Favored Glycine 0 CA--C 1.469 -2.811 0 C-N-CA 118.376 -1.869 . . . . 10.0 114.047 -167.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . . . -164.95 159.41 18.08 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 123.616 0.766 . . . . 10.0 109.301 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 63' ' ' GLN . 2.5 pp -152.42 151.44 30.8 Favored 'General case' 0 N--CA 1.434 -1.266 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -131.45 108.68 9.76 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 109.53 22.22 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.691 -1.596 . . . . 10.0 106.691 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.4 p -123.68 99.73 6.43 Favored 'General case' 0 N--CA 1.421 -1.888 0 C-N-CA 120.041 -0.664 . . . . 10.0 111.534 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 70.79 -65.98 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.093 1.357 . . . . 10.0 111.803 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.26 -37.1 0.09 OUTLIER Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.99 117.54 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 CA-C-O 122.691 1.234 . . . . 10.0 110.635 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' A' ' 23' ' ' SER 0.284 0.9 OUTLIER -104.58 108.52 20.01 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 113.461 -1.7 . . . . 10.0 107.937 -176.163 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -110.29 125.61 53.32 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -138.86 132.02 29.82 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.934 -1.506 . . . . 10.0 106.934 -177.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -142.03 148.6 38.77 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.608 -0.837 . . . . 10.0 109.291 174.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -131.43 140.0 49.52 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 116.66 -0.246 . . . . 10.0 111.268 -178.093 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 5.4 pt-20 -108.02 123.98 49.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 124.157 0.911 . . . . 10.0 108.811 176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.518 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.24 178.25 41.97 Favored Glycine 0 C--N 1.298 -1.529 0 N-CA-C 110.213 -1.155 . . . . 10.0 110.213 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' HG23 ' A' ' 72' ' ' VAL . 32.9 t-80 -68.72 130.95 91.48 Favored Pre-proline 0 C--O 1.205 -1.239 0 CA-C-N 118.222 1.011 . . . . 10.0 109.323 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 6.3 Cg_exo -33.91 -53.32 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.115 1 C-N-CA 126.5 4.8 . . . . 10.0 117.083 -172.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.41 66.07 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.94 81.65 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 76' ' ' MET . 2.9 t -58.79 -46.82 90.67 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.571 0 CA-C-N 113.45 -1.704 . . . . 10.0 108.116 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.76 74.63 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 78' ' ' HIS . 3.5 tm-20 -63.92 -42.66 97.33 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.606 -1.627 . . . . 10.0 106.606 175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 24.1 t -60.21 -44.74 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.402 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.1 mmt -55.83 -49.13 74.09 Favored 'General case' 0 C--O 1.207 -1.144 0 C-N-CA 122.923 0.489 . . . . 10.0 111.24 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.6 m -56.99 -37.07 71.12 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.308 0.38 . . . . 10.0 111.387 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 21.7 m-70 -61.41 -58.83 6.62 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.751 1.262 . . . . 10.0 109.589 170.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.625 HG22 HE21 ' A' ' 80' ' ' GLN . 6.5 mt -62.76 -48.19 89.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 116.359 1.985 . . . . 10.0 116.359 -170.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 79' ' ' ILE . 25.2 mm-40 -65.3 -16.14 63.25 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 114.702 1.371 . . . . 10.0 114.702 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -98.67 20.13 13.49 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.95 -0.469 . . . . 10.0 110.835 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 83' ' ' ARG . 13.0 t70 -85.45 -149.59 0.13 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 120.788 0.328 . . . . 10.0 111.14 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 82' ' ' ASP . 9.2 ptt180 -169.64 -41.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.473 1.109 . . . . 10.0 110.63 -167.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' HD2' ' OD2' ' A' ' 82' ' ' ASP 0.362 0.0 OUTLIER -90.24 -19.33 24.27 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 115.698 1.74 . . . . 10.0 115.698 -172.396 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -94.24 84.12 4.36 Favored 'General case' 0 C--N 1.273 -2.751 0 N-CA-C 105.862 -1.903 . . . . 10.0 105.862 163.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . 0.334 2.1 t -11.51 -65.11 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 118.509 2.781 . . . . 10.0 118.509 -159.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -119.81 -20.33 7.63 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.478 7.1 p 36.63 67.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 116.257 1.947 . . . . 10.0 116.257 -167.543 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -85.75 90.57 8.07 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-N 113.786 -1.552 . . . . 10.0 109.773 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.776 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.2 mm -49.43 -76.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 106.792 -1.559 . . . . 10.0 106.792 171.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.3 mt 57.92 -5.08 0.05 OUTLIER 'General case' 0 C--N 1.271 -2.833 0 C-N-CA 125.599 1.559 . . . . 10.0 114.295 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 90' ' ' ILE . . . -137.13 113.48 10.03 Favored 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -131.94 110.95 11.13 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 106.664 -1.606 . . . . 10.0 106.664 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.78 143.39 49.86 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.676 -0.238 . . . . 10.0 111.47 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.442 ' HA ' HG22 ' A' ' 17' ' ' VAL . 47.6 t -79.73 130.32 35.24 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 98' ' ' LYS . 19.6 pt -127.58 178.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 N-CA-C 114.034 1.124 . . . . 10.0 114.034 -175.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . . . -106.9 -1.47 22.31 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 114.686 -1.143 . . . . 10.0 110.336 173.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER 56.29 -164.87 0.14 Allowed 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 112.923 -1.944 . . . . 10.0 111.752 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 78.43 28.82 0.45 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 124.342 1.057 . . . . 10.0 110.696 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.82 -47.85 7.63 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 103' ' ' GLY . 27.3 m-85 -107.92 -25.92 10.97 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 119.16 -1.016 . . . . 10.0 113.263 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.96 -8.78 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.794 1.638 . . . . 10.0 114.344 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -154.02 163.63 31.03 Favored Glycine 0 N--CA 1.427 -1.921 0 N-CA-C 106.625 -2.59 . . . . 10.0 106.625 175.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.583 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 5.8 p90 -71.81 146.75 47.82 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.183 1.491 . . . . 10.0 110.461 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . 19.0 m-70 -130.31 94.76 3.74 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.402 ' HA ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.71 115.64 28.3 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 -175.194 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -110.44 96.92 6.5 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.08 121.5 11.68 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.864 -1.902 . . . . 10.0 105.864 173.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m 66.17 174.03 0.23 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 124.468 1.105 . . . . 90.0 112.03 -175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 12.6 t -76.2 143.84 40.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.342 -1.355 . . . . 90.0 107.342 171.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 m -61.09 -38.67 87.09 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.06 0.457 . . . . 90.0 110.704 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.53 -81.38 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 119.802 -0.759 . . . . 90.0 110.195 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 110' ' ' CYS . . . 63.44 -2.29 0.49 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.686 1.194 . . . . 90.0 113.58 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.87 -34.53 77.99 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 122.96 0.504 . . . . 90.0 111.789 -172.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.78 -21.79 64.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.013 0.435 . . . . 90.0 110.881 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 120' ' ' LEU 0.324 5.3 ptm180 55.26 -0.11 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.229 2.307 . . . . 90.0 117.229 176.557 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 p -65.77 -12.87 57.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.423 1.089 . . . . 90.0 111.318 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.74 -24.3 66.72 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.707 1.203 . . . . 90.0 111.335 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.93 -1.2 1.71 Allowed Glycine 0 C--N 1.321 -0.289 0 C-N-CA 120.603 -0.808 . . . . 90.0 112.231 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 33.6 tp -84.08 -22.86 31.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.92 -0.77 . . . . 90.0 108.92 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.42 87.15 6.63 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.538 -0.912 . . . . 90.0 108.538 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.66 110.81 7.29 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 115.215 -0.902 . . . . 90.0 111.218 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.4 m -73.42 133.58 43.77 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 108.122 -1.066 . . . . 90.0 108.122 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 127.1 30.08 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 121.951 0.882 . . . . 90.0 110.664 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.272 -2.771 0 CA-C-N 113.247 -1.797 . . . . 90.0 111.186 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.534 HM82 ' HB3' ' A' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 107.191 -1.411 . . . . 90.0 107.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.89 148.47 46.07 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.807 -0.812 . . . . 90.0 108.807 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.89 131.06 48.51 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.809 -0.632 . . . . 90.0 111.553 -174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -111.66 157.25 20.67 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 107.888 -1.153 . . . . 90.0 107.888 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.33 -36.13 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 112.473 0.546 . . . . 90.0 112.473 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 p 47.49 -136.19 0.92 Allowed 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.146 0.978 . . . . 90.0 112.165 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mtp -83.68 105.53 14.67 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.995 -1.113 . . . . 90.0 107.995 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 p -72.15 -71.63 0.27 Allowed 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 123.262 0.351 . . . . 90.0 111.506 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.9 54.48 36.53 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 110.426 -1.07 . . . . 90.0 110.426 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 m -104.51 -139.32 0.36 Allowed 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.175 0.512 . . . . 90.0 110.594 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -98.25 51.12 1.01 Allowed 'General case' 0 CA--C 1.472 -2.058 0 C-N-CA 124.889 1.276 . . . . 10.0 110.725 -173.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -110.95 156.35 21.34 Favored 'General case' 0 C--N 1.26 -3.292 0 CA-C-N 114.056 -1.429 . . . . 10.0 107.643 173.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 95' ' ' SER . 23.4 t -150.15 150.16 13.87 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.039 0 N-CA-C 107.265 -1.383 . . . . 10.0 107.265 -175.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 72.0 p -128.86 115.49 17.97 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.62 112.01 24.06 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.922 -1.51 . . . . 10.0 106.922 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.676 ' HA ' ' CB ' ' A' ' 64' ' ' TRP . 40.9 m -100.63 136.63 40.2 Favored 'General case' 0 CA--C 1.477 -1.85 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.724 ' CB ' ' HA ' ' A' ' 90' ' ' ILE . 1.5 p90 -143.1 160.82 39.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 118.372 -1.331 . . . . 10.0 113.028 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 33.5 ptt180 -111.91 158.54 19.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.752 -1.113 . . . . 10.0 108.55 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 61' ' ' PHE . 40.8 m -149.66 139.11 21.5 Favored 'General case' 0 C--N 1.284 -2.267 0 O-C-N 121.881 -0.512 . . . . 10.0 110.644 169.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.58 37.97 0.93 Allowed 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.522 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 5.37 119.67 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 128.256 2.623 . . . . 10.0 116.436 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -73.01 120.28 80.11 Favored Pre-proline 0 N--CA 1.409 -2.496 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 26' ' ' ALA . 60.8 Cg_endo -67.42 -0.31 4.92 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 123.915 3.077 . . . . 10.0 113.178 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 7.9 p-10 -107.59 17.13 23.04 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.62 -177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 26' ' ' ALA . 86.6 mt -87.38 168.6 13.0 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.693 0.759 . . . . 10.0 112.069 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.2 124.63 50.01 Favored 'General case' 0 N--CA 1.406 -2.659 0 CA-C-N 114.459 -1.246 . . . . 10.0 111.437 174.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 33.2 tp -52.82 -40.23 63.11 Favored 'General case' 0 CA--C 1.491 -1.325 0 C-N-CA 124.722 1.209 . . . . 10.0 111.089 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.52 -31.71 72.53 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.787 -0.765 . . . . 10.0 110.131 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.37 -30.45 61.98 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.481 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . 3.8 mm? -67.52 -39.12 85.07 Favored 'General case' 0 CA--C 1.469 -2.146 0 C-N-CA 119.327 -0.949 . . . . 10.0 109.352 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 3.4 mt -83.84 -10.6 57.92 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.124 -0.943 . . . . 10.0 110.016 -174.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.97 -46.95 19.68 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.266 -1.383 . . . . 10.0 107.266 165.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 34' ' ' LEU . 44.3 mt -49.13 -50.68 14.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 114.964 -1.016 . . . . 10.0 110.989 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 34' ' ' LEU . 11.8 m -52.35 -44.68 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 O-C-N 123.479 0.487 . . . . 10.0 111.304 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.439 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 24.5 mm-40 -70.84 -48.07 55.93 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.305 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 m -63.51 -35.93 82.09 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 123.858 0.724 . . . . 10.0 111.336 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.3 m -67.26 -50.48 60.35 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.332 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 104' ' ' TRP . 9.7 mt-30 -53.18 -52.3 59.26 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.402 0.62 . . . . 10.0 111.6 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.14 -24.54 67.43 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.242 -1.345 . . . . 10.0 112.273 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -90.62 -39.55 12.43 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 6.5 m-20 -66.62 -45.47 79.0 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.478 0.656 . . . . 10.0 109.689 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -68.29 -52.18 36.5 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.093 -0.958 . . . . 10.0 110.713 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.52 -4.05 49.6 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 120.085 -0.646 . . . . 10.0 112.506 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 75.44 25.15 1.28 Allowed 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 125.337 1.455 . . . . 10.0 111.614 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 HD12 ' A' ' 65' ' ' LEU . 7.3 mp -87.51 131.59 34.31 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.958 -1.928 . . . . 10.0 111.603 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 49.8 p -110.26 157.99 18.87 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' TRP . . . -167.88 178.67 41.59 Favored Glycine 0 CA--C 1.477 -2.283 0 C-N-CA 118.661 -1.733 . . . . 10.0 114.488 -166.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . . . -168.18 152.62 6.28 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 123.998 0.919 . . . . 10.0 109.413 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' A' ' 106' ' ' MET . 6.5 tt -137.7 127.17 24.94 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 -177.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -108.58 134.72 50.95 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 173.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.61 116.08 8.08 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 105.715 -1.957 . . . . 10.0 105.715 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.5 p -147.79 142.26 26.43 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 64.18 -83.37 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.524 1.13 . . . . 10.0 111.321 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.55 21.9 0.63 Allowed Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 109.479 -1.448 . . . . 10.0 109.479 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.0 138.21 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 CA-C-O 121.94 0.876 . . . . 10.0 111.764 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 23' ' ' SER 0.261 1.0 OUTLIER -101.39 141.36 34.38 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.653 176.118 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -138.59 115.91 11.14 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.873 -1.529 . . . . 10.0 106.873 165.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.441 ' HG3' ' H6 ' ' A' 1126 ' ' FAD . 0.7 OUTLIER -139.12 135.32 33.97 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.037 -1.097 . . . . 10.0 108.037 -175.133 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -142.91 164.57 29.73 Favored 'General case' 0 N--CA 1.422 -1.866 0 C-N-CA 119.975 -0.69 . . . . 10.0 109.26 175.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.3 pt? -144.13 143.77 31.27 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 120.745 0.307 . . . . 10.0 111.104 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.539 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 23.8 mt-10 -104.16 123.63 47.65 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' HA3' ' HG ' ' A' ' 50' ' ' LEU . . . -168.47 176.12 42.92 Favored Glycine 0 C--N 1.286 -2.201 0 C-N-CA 119.862 -1.161 . . . . 10.0 111.011 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' ASP . 24.7 t-80 -69.42 130.64 90.63 Favored Pre-proline 0 C--O 1.211 -0.954 0 CA-C-N 118.213 1.006 . . . . 10.0 108.323 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 15' ' ' ASP . 5.8 Cg_exo -32.67 -52.16 0.38 Allowed 'Trans proline' 0 C--N 1.374 1.884 1 C-N-CA 125.987 4.458 . . . . 10.0 116.923 -171.007 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.26 -25.15 61.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 76' ' ' MET . 1.8 t -60.33 -41.09 85.91 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.391 0 CA-C-N 113.734 -1.576 . . . . 10.0 108.378 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -33.35 62.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -40.67 98.07 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 173.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 79' ' ' ILE . 41.3 t -61.24 -54.31 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.271 -1.331 . . . . 10.0 109.643 171.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 2.3 mmt -49.78 -52.53 31.31 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-O 118.909 -0.567 . . . . 10.0 111.892 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 t -57.03 -40.56 76.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.019 0.372 . . . . 10.0 111.791 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -61.5 -57.75 10.92 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-O 121.488 0.661 . . . . 10.0 109.85 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.668 HG13 ' O ' ' A' ' 75' ' ' VAL . 4.1 mt -72.58 -28.12 27.26 Favored 'Isoleucine or valine' 0 C--O 1.258 1.536 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 -170.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 76' ' ' MET . 24.6 mm-40 -69.93 -15.38 63.05 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -56.26 -32.2 64.3 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD2' ' HD2' ' A' ' 85' ' ' HIS 0.535 1.1 t70 52.23 117.08 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 118.992 2.96 . . . . 10.0 118.992 175.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -165.94 -40.75 0.03 OUTLIER 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 111.534 -2.576 . . . . 10.0 108.58 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.476 HH21 ' P ' ' A' 1126 ' ' FAD . 0.1 OUTLIER -99.08 33.2 2.44 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.806 0.812 . . . . 10.0 111.226 178.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -166.4 -173.47 2.53 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.197 1.799 . . . . 10.0 107.387 173.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.18 14.05 11.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 115.222 1.564 . . . . 10.0 115.222 -173.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' A' ' 23' ' ' SER . 4.6 t-20 -168.27 -61.47 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 118.404 -1.318 . . . . 10.0 114.342 -173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.691 HG23 ' CD1' ' A' ' 21' ' ' TYR 0.409 13.2 p 41.3 75.88 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.243 -4.062 0 CA-C-N 111.877 -2.42 . . . . 10.0 116.165 -167.44 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' OE1' ' A' ' 89' ' ' GLU 0.252 3.6 mm-40 -108.9 101.49 10.58 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.165 -1.379 . . . . 10.0 112.015 174.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.724 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 5.1 mm -51.1 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.271 -2.821 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.119 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt 67.06 -15.45 0.16 Allowed 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 124.75 1.22 . . . . 10.0 112.731 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' CYS . . . -132.68 112.81 12.32 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 119.807 -0.757 . . . . 10.0 110.526 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.99 111.22 9.62 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.994 -1.484 . . . . 10.0 106.994 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -137.42 149.0 46.59 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.056 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 17' ' ' VAL . 14.5 m -73.65 121.1 20.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.754 0.821 . . . . 10.0 109.102 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 pt -118.75 -178.57 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 115.061 1.504 . . . . 10.0 115.061 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.44 -4.17 23.1 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-N 115.126 -0.943 . . . . 10.0 111.764 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 6.5 ttmt 54.83 -169.38 0.07 Allowed 'General case' 0 N--CA 1.402 -2.867 0 CA-C-N 112.935 -1.939 . . . . 10.0 111.69 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.651 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 21.5 tpt180 84.22 23.04 0.12 Allowed 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.548 1.539 . . . . 10.0 110.777 173.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.07 -53.88 5.23 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.804 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 103' ' ' GLY . 21.4 m-85 -103.79 -14.47 16.04 Favored 'General case' 0 CA--C 1.489 -1.388 0 C-N-CA 118.546 -1.262 . . . . 10.0 113.34 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.07 -14.65 0.07 Allowed 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 125.866 1.666 . . . . 10.0 114.289 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 101' ' ' PHE . . . -151.97 171.45 31.34 Favored Glycine 0 N--CA 1.421 -2.334 0 N-CA-C 107.114 -2.394 . . . . 10.0 107.114 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 42' ' ' GLN . 33.3 t90 -90.08 137.85 32.0 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 118.624 1.212 . . . . 10.0 109.376 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 55.6 m-70 -121.14 164.58 16.64 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -151.63 136.8 17.47 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 107' ' ' GLN . 0.0 OUTLIER -70.32 -38.29 74.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.587 0.232 . . . . 10.0 110.898 175.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' N ' ' SD ' ' A' ' 106' ' ' MET . 1.0 OUTLIER -99.54 83.42 2.79 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 t -165.63 98.83 0.68 Allowed 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.501 -1.666 . . . . 90.0 106.501 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t 72.24 -58.07 0.6 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.867 1.267 . . . . 90.0 108.571 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.4 m 57.41 -168.95 0.11 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 115.38 1.622 . . . . 90.0 115.38 169.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -91.01 166.31 13.07 Favored 'General case' 0 N--CA 1.417 -2.106 0 CA-C-N 114.766 -1.106 . . . . 90.0 111.462 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HA ' ' HD3' ' A' ' 116' ' ' ARG . . . -140.95 30.77 1.81 Allowed 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 103.178 -2.897 . . . . 90.0 103.178 168.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -101.8 -61.72 1.35 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.967 -2.378 . . . . 90.0 109.962 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.0 mmt -93.45 -59.94 1.89 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.553 -0.459 . . . . 90.0 111.581 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 113' ' ' ALA . 14.3 mmm180 65.74 -53.37 0.37 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.381 1.473 . . . . 90.0 113.258 -175.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 22.3 m -60.35 -4.07 0.78 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.088 1.144 . . . . 90.0 114.088 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.51 4.61 7.17 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.14 0.792 . . . . 90.0 113.14 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 123.73 -5.26 9.17 Favored Glycine 0 C--O 1.213 -1.16 0 C-N-CA 120.795 -0.717 . . . . 90.0 111.405 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.1 tp -100.56 10.55 41.03 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.915 -1.143 . . . . 90.0 107.915 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 117' ' ' SER . . . -74.34 87.04 2.0 Allowed 'General case' 0 N--CA 1.417 -2.109 0 CA-C-N 114.54 -1.209 . . . . 90.0 111.687 -177.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -75.62 -35.34 60.53 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.024 -1.843 . . . . 90.0 106.024 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 p -59.26 116.04 3.63 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 114.429 -1.26 . . . . 90.0 110.126 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.577 ' HD3' ' H ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -88.4 -0.9 57.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.201 0.524 . . . . 90.0 110.846 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.252 1.205 0 N-CA-C 108.673 -0.862 . . . . 90.0 108.673 178.273 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1126 ' ' FAD . . . . . 0.489 HO4' ' PA ' ' A' 1126 ' ' FAD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_